Dissertations / Theses on the topic 'TCNZ'
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Ross, Peter, and n/a. "Organisational and Workforce Restructuring in a Deregulated Environment: A Comparative Study of The Telecom Corporation of New Zealand (TCNZ) and Telstra." Griffith University. Graduate School of Management, 2003. http://www4.gu.edu.au:8080/adt-root/public/adt-QGU20030930.155125.
Full textRoss, Peter. "Organisational and Workforce Restructuring in a Deregulated Environment: A Comparative Study of The Telecom Corporation of New Zealand (TCNZ) and Telstra." Thesis, Griffith University, 2003. http://hdl.handle.net/10072/367438.
Full textThesis (PhD Doctorate)
Doctor of Philosophy (PhD)
Graduate School of Management
Full Text
Silva, Maria do Socorro de Paula. "SÃntese e caracterizaÃÃo de complexos bipiridÃnicos de rutÃnio com ligantes polinitrilados." Universidade Federal do CearÃ, 2007. http://www.teses.ufc.br/tde_busca/arquivo.php?codArquivo=1453.
Full textNo presente trabalho, os complexos cis-[Ru(dcbpy)(bpy)(TCNQ)Cl] e cis-[Ru(dcbpy)(bpy)(TCNE)Cl], denominados de Ru-TCNQ e Ru-TCNE, respectivamente, (dcbpy = 4,4â-dicarboxi-2,2â-bipiridina e bpy = 2,2â-bipirina) foram sintetizados e caracterizados por tÃcnicas espectroscÃpicas e eletroquÃmicas. Os espectros de UV-VisÃvel apresentaram para os complexos Ru-TCNQ e Ru-TCNE bandas de absorÃÃo na regiÃo do visÃvel, sendo atribuÃdas Ãs bandas de transferÃncia de carga do tipo MLCT. Os espectros de luminescÃncia apresentaram emissÃo, quando excitados na regiÃo da MLCT (500nm), evidenciando a modificaÃÃo estrutural com a coordenaÃÃo dos ligantes polinitrilados ao RuII. Os decaimentos dos compostos forma biexponenciais, com o complexo Ru-TCNQ apresentou tempos de vida muito mais curtos que o Ru-TCNE. No infravermelho, foi observado que os compostos TCNX encontram-se ligados covalentemente ao Ãtomo de rutÃnio. Essa coordenaÃÃo se dà atravÃs de ligaÃÃo σ entre o Ãtomo de nitrogÃnio de uma das nitrilas, evidenciada pelo surgimento de um maior nÃmero de bandas referentes ao estiramento C≡N, comparativamente aos ligantes livres de coordenaÃÃo. A observaÃÃo do deslocamento dessas bandas para regiÃes de menor energia, quando comparadas aos ligantes livres, permitiram identificar que os ligantes TCNQ e TCNE encontram-se coordenados em sua forma radicalar (TCNX.â). O grau de transferÃncia de carga (Z) baseado nos espectros de infravermelho para os compostos Ru-TCNQ e Ru-TCNE foi de 0,66 e 0,78, respectivamente. Os espectros de RPE confirmaram a coordenaÃÃo dos ligantes ao centro metÃlico na forma reduzida (Ru-TCNQ: g = 2,007 e para Ru-TCNE: g = 2,010). Os potencias redox nos complexos Ru-TCNQ (Ered = 0,70V vs ENH) e Ru-TCNE (Ered = 1,30V vs ENH) foram deslocados para potenciais mais positivos, quando comparados ao precursor cis-[Ru(dcbpy)(bpy)Cl2] (Ered = 0,67V vs ENH), evidenciando o forte carÃter π receptor de elÃtrons dos ligantes TCNX, estabilizando o centro metÃlico na forma reduzida. Esses resultados evidenciam um carÃter retirador de elÃtrons mais pronunciado para o ligante TCNE em relaÃÃo ao TCNQ.
In this work, the [Ru(bpy)(dcbpy)(TCNQ)Cl] and [Ru(bpy)(dcbpy)(TCNE)Cl] complexes, called Ru-TCNQ and Ru-TCNE, respectively, where bpy = 2,2â- bipyridine and dcbpy = 4,4â-dicarboxy-2,2â-bipyridine, were synthesized and characterized by spectroscopy and electrochemical techniques. The absorption spectra of the Ru-TCNQ and Ru-TCNE complexes showed bands assigned to metalto-ligand charge transfer transitions (MLCT). The luminescence spectra, with excitation at the MLCT, exhibited emission with maximum of intensity at 570 and 605 nm for the Ru-TCNQ and Ru-TCNE complexes, respectively. The luminescence decay of the complexes follows a biexponential law, with the Ru-TCNQ complex showing shorter lifetime than the Ru-TCNE complex. The infrared vibrational spectra of the complexes show a larger number of nitrile stretching bands, comparatively to the free ligands of coordination. These suggesting that the TCNX compounds are coordinated to the ruthenium atom. Upon coordenation, the shifts of these bands for lower energy values are indicative of the TCNX reduced form (TCNX⋅â). These results are confirmed by EPR spectra with g = 2.007 and 2.010 for Ru-TCNQ and Ru-TCNE complexes, respectively. The degree of charge transfer (Z) for the Ru-TCNQ and Ru-TCNE compounds was evaluated as 0.66 and 0.78, respectively. The RuIII/II redox potentials of the Ru-TCNQ (0.70V) and Ru-TCNE (1.30V) compounds, shifted for more positive potentials, when compared to the starting complex, cis- [Ru(dcbpy)(bpy)Cl2] (0,67V). These results inducate that the ligands acts as π-acceptor allowing a π-back-bonding interaction which imply in a thermodynamic stability of the metal in the reduced state (RuII). The data, all together, suggest that the TCNE compound presents a higher πback-bonding interaction capability than TCNQ compound.
Pontes, Daniel de Lima. "Estudo de complexos de ferro-cyclam com ligantes carboxilados e polinitrilados." Universidade Federal do CearÃ, 2006. http://www.teses.ufc.br/tde_busca/arquivo.php?codArquivo=2934.
Full textO objetivo deste trabalho à contribuir com o desenvolvimento da quÃmica do sistema Fe-cyclam, atravÃs da sÃntese e caracterizaÃÃo de novos complexos metÃlicos deste sistema com duas classes de ligantes: carboxilados (oxalato e acetato) e ligantes polinitrilados (7,7,8,8 âtetracianoquinodimetano e tetracianoetileno ). AtravÃs da caracterizaÃÃo do complexo cis-[Fe(cyclam)ox]PF6 por infravermelho foi possÃvel identificar que o ligante oxalato encontra-se coordenado ao centro metÃlico de forma bidentada, bem como garantir que o ligante macrocÃclico cyclam continua na esfera de coordenaÃÃo do metal. O potencial formal de meia onda do processo redox Fe3+/2+ do complexo foi observado em â39mV vs Ag/AgCl. O potencial observado encontra-se deslocado 240mV para menores valores em relaÃÃo ao complexo precursor, favorecendo ao estado de oxidaÃÃo Fe3+ do metal, devido ao maior efeito σ doador do ligante oxalato frente aos cloretos. O espectro UV-Vis do complexo cisâ[Fe(cyclam)ox]PF6, em meio aquoso, apresentou trÃs bandas: 229nm, atribuÃda a uma transiÃÃo intraligante do cyclam, 293nm e 357nm, atribuÃdas à transferÃncia de carga de orbitais π do ligante para o orbitais dπ* do metal. Os experimentos fotoquÃmicos demonstraram a grande sensibilidade do complexo à luz, sendo observado a labilizaÃÃo do ligante oxalato da esfera de coordenaÃÃo do metal, e a reatividade da espÃcie formada atravÃs da obtenÃÃo do complexo trans-[Fe(cyclam)acet2]PF6, AtravÃs do estudo de Raio-X, obtido a partir do cristal do complexo trans-[Fe(cyclam)acet2]PF6, foi possÃvel comprovar o modo de coordenaÃÃo das duas molÃculas de acetato na posiÃÃo trans, bem como a identificaÃÃo da disposiÃÃo do cyclam no plano da molÃcula atravÃs de um arranjo conformacional trans-III. Os espectros no infravermelho dos complexos cis - [Fe(cyclam)(TCNX)Cl]Cl, onde TCNX representa os ligantes TCNQ ou TCNE, apresentaram um maior nÃmero de bandas referentes aos estiramentos CN, comparativamente aos ligantes livres, confirmando a alteraÃÃo da simetria do ligante causada pela coordenaÃÃo do metal. Com base nos deslocamentos destas freqÃÃncias para menores valores, comparativamente ao ligante livre, foi possÃvel identificar que os ligantes TCNQ e TCNE estÃo coordenados em sua forma radicalar, estado de oxidaÃÃo â1, sugerindo assim a ocorrÃncia de um processo de transferÃncia de elÃtrons do centro metÃlico, previamente reduzido (Fe2+), para os ligantes TCNX. Os potenciais redox dos Ãtomos de ferro, nos complexos com os ligantes polinitrialados TCNQ (693mV vs ENH) e TCNE (854mV vs ENH), foram deslocados para potenciais mais positivos, comparativamente ao observado no complexo precursor cis-[Fe(cyclam)Cl2]Cl (405mV vs ENH), indicando assim um forte deslocamento de densidade eletrÃnica dπ para os orbitais de simetria π dos ligantes TCNX. Os processos centrados nos ligantes coordenados ficaram mais prÃximos do que nos ligantes livres, indicando uma diminuiÃÃo na barreira de transferÃncia de elÃtrons, que segundos dados da literatura leva a uma melhor conduÃÃo elÃtrica. Os espectros eletrÃnicos dos complexos, em meio aquoso, apresentaram uma banda localizada em baixa energia, atribuÃda a transferÃncias de carga do tipo LMCT dos orbitais pπ das molÃculas de TCNX, para os orbitais dπ* do Ãon Fe3+. No complexo com o ligante TCNQ, esta banda aparece em 764nm e no complexo com o ligante TCNE, em 861nm. Observa-se ainda nos dois complexos a presenÃa das bandas referentes Ãs transiÃÃes LMCT dos cloretos para o Ãon Fe3+ em regiÃes muito prÃximas, em 557 no complexo com TCNE e em 568nm no complexo com TCNQ. A presenÃa desta banda novamente sugere a presenÃa do Ferro no estado oxidado (Fe+3).
The main objective of this work is to contribute with the chemistry of the system Fe-Cyclam through the synthesis and characterization of complexes with carboxylate ligants, acetate and oxalate, and polinitrilate ligands, 7,7,8,8-tetracyanoquinodimethane (TCNQ) and tetracyanoethylene (TCNE). The infrared spectra of the cis-[Fe(cyclam)ox]PF6 complex allowed to identify the coordination of the oxalate ligand to the iron metal in a bidentate mode as well as to suggest the presence of the macrocycle in the coordination sphere of the metal. The redox potential of the complex was observed at â39mV vs Ag/AgCl. The potential is dislocated 240mV for more positive potential when compared to that observed for the precursor complex cis-[Fe(cyclamCl2]Cl. This effect can be attributed to the stronger σ effect of the oxalate ligand when compared to the chlorine. The UV-Vis spectra of the complex, presented three bands: 229nm, attributed to a cyclam intraligand transition and the bands 293nm and 357nm, referring to ligand to metal electronic transfer from π orbitals of the oxalate to dπ* of the metal. The photochemical experiments proved the great sensibility of the complex to the light presence, being observed the reactivity effect of the complex formed after the light exposition by the formation of the trans-[Fe(cyclam)acet2]PF6 complex. Through the Ray-X obtained of the crystal of the trans-[Fe(cyclam)acet2]PF6 complex was possible to identify the coordination of two molecules of acetate at the trans position, as well as to identify the disposition of the cyclam ligand on the plane in a trans-III arrange. The infrared spectrum of the complexes cis - [Fe(cyclam)(TCNX)Cl]Cl, where the TCNX represent the ligands TCNQ and TCNE, present a great number of bands referring to the νCN, when compared with the ligands not coordinated, confirming the symetry changed induced by the metal coordination. Through the wavenumber variation of these bands was possible to identify that the TCNQ and TCNE ligands are coordinated in your radical way, oxidation state â1, suggestion this way the occurrence of a electron transfer from the iron, previously reduced (Fe+2), to the TCNX ligands. The redox potentials of the iron metals in the complexes with the polinitrilate ligands TCNQ (693mV vs ENH) and TCNE (854mV vs ENH) were dislocated for more positive potentials, when compared to the cis-[Fe(cyclam)Cl2]Cl precursor complex (405mV vs ENH), indicating the occurrence of an electronic density transfer to the TCNX molecules. The two potentials of the ligands on the complexes were closer than the ligands not coordinated, this approximation of the potential indicate a decrease of the inner electron transfer. The electronic spectra of the complexes, showed bands in the low energy region, attributed to a charge transfer LMCT, from the TCNX pπ orbital to the metal dπ* orbital. In the cis-[Fe(cyclam)(TCNQ)Cl]Cl complex, the band was observed at 764nm while in the complex with the TCNE ligand this band was observed at 861nm. Also, the complexes presented bands at 557nm (TCNE complex) and 568nm (TCNQ complex)referring to the LMCT transitions from the chlorine atoms to the iron metal reinforcing the assignment of the (Fe+3) oxidation state for the metal center.
Silva, Maria. "Síntese e caracterização de complexos bipiridínicos de rutênio com ligantes polinitrilados." reponame:Repositório Institucional da UFC, 2007. http://www.repositorio.ufc.br/handle/riufc/2079.
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In this work, the [Ru(bpy)(dcbpy)(TCNQ)Cl] and [Ru(bpy)(dcbpy)(TCNE)Cl] complexes, called Ru-TCNQ and Ru-TCNE, respectively, where bpy = 2,2’- bipyridine and dcbpy = 4,4’-dicarboxy-2,2’-bipyridine, were synthesized and characterized by spectroscopy and electrochemical techniques. The absorption spectra of the Ru-TCNQ and Ru-TCNE complexes showed bands assigned to metalto-ligand charge transfer transitions (MLCT). The luminescence spectra, with excitation at the MLCT, exhibited emission with maximum of intensity at 570 and 605 nm for the Ru-TCNQ and Ru-TCNE complexes, respectively. The luminescence decay of the complexes follows a biexponential law, with the Ru-TCNQ complex showing shorter lifetime than the Ru-TCNE complex. The infrared vibrational spectra of the complexes show a larger number of nitrile stretching bands, comparatively to the free ligands of coordination. These suggesting that the TCNX compounds are coordinated to the ruthenium atom. Upon coordenation, the shifts of these bands for lower energy values are indicative of the TCNX reduced form (TCNX⋅–). These results are confirmed by EPR spectra with g = 2.007 and 2.010 for Ru-TCNQ and Ru-TCNE complexes, respectively. The degree of charge transfer (Z) for the Ru-TCNQ and Ru-TCNE compounds was evaluated as 0.66 and 0.78, respectively. The RuIII/II redox potentials of the Ru-TCNQ (0.70V) and Ru-TCNE (1.30V) compounds, shifted for more positive potentials, when compared to the starting complex, cis- [Ru(dcbpy)(bpy)Cl2] (0,67V). These results inducate that the ligands acts as π-acceptor allowing a π-back-bonding interaction which imply in a thermodynamic stability of the metal in the reduced state (RuII). The data, all together, suggest that the TCNE compound presents a higher πback-bonding interaction capability than TCNQ compound.
No presente trabalho, os complexos cis-[Ru(dcbpy)(bpy)(TCNQ)Cl] e cis-[Ru(dcbpy)(bpy)(TCNE)Cl], denominados de Ru-TCNQ e Ru-TCNE, respectivamente, (dcbpy = 4,4’-dicarboxi-2,2’-bipiridina e bpy = 2,2’-bipirina) foram sintetizados e caracterizados por técnicas espectroscópicas e eletroquímicas. Os espectros de UV-Visível apresentaram para os complexos Ru-TCNQ e Ru-TCNE bandas de absorção na região do visível, sendo atribuídas às bandas de transferência de carga do tipo MLCT. Os espectros de luminescência apresentaram emissão, quando excitados na região da MLCT (500nm), evidenciando a modificação estrutural com a coordenação dos ligantes polinitrilados ao RuII. Os decaimentos dos compostos forma biexponenciais, com o complexo Ru-TCNQ apresentou tempos de vida muito mais curtos que o Ru-TCNE. No infravermelho, foi observado que os compostos TCNX encontram-se ligados covalentemente ao átomo de rutênio. Essa coordenação se dá através de ligação σ entre o átomo de nitrogênio de uma das nitrilas, evidenciada pelo surgimento de um maior número de bandas referentes ao estiramento C≡N, comparativamente aos ligantes livres de coordenação. A observação do deslocamento dessas bandas para regiões de menor energia, quando comparadas aos ligantes livres, permitiram identificar que os ligantes TCNQ e TCNE encontram-se coordenados em sua forma radicalar (TCNX.–). O grau de transferência de carga (Z) baseado nos espectros de infravermelho para os compostos Ru-TCNQ e Ru-TCNE foi de 0,66 e 0,78, respectivamente. Os espectros de RPE confirmaram a coordenação dos ligantes ao centro metálico na forma reduzida (Ru-TCNQ: g = 2,007 e para Ru-TCNE: g = 2,010). Os potencias redox nos complexos Ru-TCNQ (Ered = 0,70V vs ENH) e Ru-TCNE (Ered = 1,30V vs ENH) foram deslocados para potenciais mais positivos, quando comparados ao precursor cis-[Ru(dcbpy)(bpy)Cl2] (Ered = 0,67V vs ENH), evidenciando o forte caráter π receptor de elétrons dos ligantes TCNX, estabilizando o centro metálico na forma reduzida. Esses resultados evidenciam um caráter retirador de elétrons mais pronunciado para o ligante TCNE em relação ao TCNQ.
Monezi, Natália Mariana. "Espectroscopia Raman ressonante e cálculos DFT de sistemas modelo de transferência de carga." Universidade de São Paulo, 2018. http://www.teses.usp.br/teses/disponiveis/46/46136/tde-24082018-095811/.
Full textIn this work the charge transfer complexes resulting from the interaction between tetracyanoethylene (TCNE) and 7,7,8,8-tetracyanoquinodimethane (TCNQ), as electron accepting species and mono, bi and tri aromatic amines, as electron donating species, were studied in solution. Also the electrophilic aromatic substitution that occurs between the TCNE and amines has been studied. For this study, the spectroscopic techniques of UV-VIS absorption and Raman were used, which allowed the characterization of the charge transfer complexes, as well as of the species involved in the reaction of tricianovinylation that occurs between amines and TCNE. In order to support the experimental data, DFT (Density Functional Theory) and TDDFT (Time-dependent Density Functional Theory) calculations were performed, to obtain the optimized geometries, Raman frequency values and theoretical transition energies of such species. The electronic spectra of the complexes formed between TCNE and monoaromatic amines showed that their transition energies are proportional to the amine electron donation capacity. In fact it could be linearly correlated with the ionization potential values of the amines, following the Mullikens rule. The Raman spectra allowed to verify that the vibrational modes of the TCNE involved in the process of charge transfer, were displaced to lower wavenumbers with the reduction of the ionization potential of the amine, and analogously, a linear correlation between these two parameters could be obtained. In the case of bi and tri aromatic amines, the linear trend between transition energy and ionization potential was observed, but not for the Raman shifts of the TCNE bands. In the reaction of tricianovinylation, the electronic spectra enabled the identification of the participating species in the reaction, and their vibrational characterization by resonance Raman. Using resonance Raman spectroscopy, it was possible to characterize the intermediate species of the tricianovinylation reaction between TCNE and aromatic amines for the first time. The complexes involving TCNQ and monoaromatic amines showed a similar trend to that observed in complexes with TCNE. The transition energies of these complexes decrease linearly, as well as the vibrational modes of the TCNQ, which present shifts to lower Raman frequencies with the decrease of the ionization potential of the amine. On the other hand, complexes formed by TCNQ and amines with more than one aromatic ring in their structure do not present correlation between donor ionization potential and transition energy and Raman displacements. The calculations of the electronic and vibrational spectra presented good agreement with those obtained experimentally, however some limitations were evidenced in the description of the π interactions in these model systems.
Decoster, Marc, and E. Guerchais-Jacques. "Contribution à l'étude de la réactivite de polynitriles neutres et anioniques : comportement de TCNQ et TCNE vis-a-vis de complexes du molybdène ; propriétés électrochimiques et complexantes d'anions polycyanocarbones." Brest, 1994. http://www.theses.fr/1994BRES2017.
Full textKirui, Joseph Kiprono. "ESR study of DMTM(TCNQ)₂." Thesis, University of British Columbia, 1990. http://hdl.handle.net/2429/29191.
Full textScience, Faculty of
Physics and Astronomy, Department of
Graduate
Qureshi, Saleem. "Magnetic properties of TCNQ complexes." Thesis, University of Nottingham, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.278000.
Full textBeales, T. P. "Magnetic susceptibilities of TCNQ complex salts." Thesis, University of Nottingham, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376162.
Full textNader, G. K. "Phase changes in TCNQ complex salts." Thesis, University of Nottingham, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.353924.
Full textBroughton, Richard Anthony. "A study of zwitterionic adducts of TCNQ." Thesis, Sheffield Hallam University, 1993. http://shura.shu.ac.uk/19400/.
Full textKancono. "Complexes de transfert de charge oligothiophène/TCNQ dans les matériaux hybrides organique-inorganique : influence du TCNQ sur la structure des gels." Montpellier 2, 2001. http://www.theses.fr/2001MON20218.
Full textCross, Graham Hugh. "Electrical and magnetic characterisation of a series of TCNQ salts." Thesis, Sheffield Hallam University, 1985. http://shura.shu.ac.uk/19516/.
Full textCabañas, Francisco Xavier. "A study of level crossing effects in TCNQ salts." Thesis, University of British Columbia, 1988. http://hdl.handle.net/2429/28632.
Full textScience, Faculty of
Physics and Astronomy, Department of
Graduate
Voss, Gleizer Bierhalz. "TCN5 - TEACHING COMPUTER NETWORKS IN A FREE IMMERSIVE VIRTUAL ENVIRONMENT." Universidade Federal de Santa Maria, 2014. http://repositorio.ufsm.br/handle/1/5425.
Full textTeaching technical themes in the area of Computer Networks involves difficult concepts to be understood in the traditional educational way, i.e. statically. At the same time, technological advances have created many opportunities in education, requiring the development of new pedagogical practices that contribute to the process of teaching and learning. The creation of immersive virtual environments and the addressing of issues related to context-aware computing can support this process. For that, in this dissertation it was developed an immersive virtual environment for teaching Computer Networks that uses learner context information -e.g. technology, cognitive style, and quality of context-, while providing a significant learning from the integration and interaction between users and technology. To achieve the objectives of this study, an exploratory research with a case study was performed in order to verify whether the use of an immersive virtual environment can facilitate and/or improve the process of learning the discipline of Computer Networks. The construction of this environment, named TCN5, has as basis four main elements, these being,WampServer, OpenSimulator, Sloodle and UVLEQoC Moodle, which adds features from modules like U-SEA 2.0 and SEDECA 2.0, in addition to Bootstrap theme, applying QoC parameters and metrics about the information collected in the environment, aiming to ensure the suitability of the connection for the preferences and needs of the students. In order to verify the practical feasibility of the work and the usage of the environment through mobile devices, a case study was conducted, which showed that despite mobile technologies allow the realization of most of the proposed activities, there are still some technological limitations that make difficult the usage of such devices in the educational context. At the same time, a comparative analysis between different viewers for virtual worlds was performed, pointing out advantages and disadvantages by considering aspects of available resources for processing and supported file types. Finally, a non-experimental study was conducted, using a Pedagogical Architecture, which served as the basis for the use and evaluation of the environment by a group of 25 students from the Computer Networks discipline of Computer Science program at the Federal University of Santa Maria. The results obtained during the evaluation with students accomplished the desired expectations, achieving a rating of "Excellent" on the scale of the SUS usability test and a considerable increase in the average obtained in the elaboration of the conceptual maps after using TCN5, an indication that the environment helped, at least in part, to the construction of knowledge of this group, despite the limitations and difficulties encountered during its development.
O ensino de temas técnicos na área de Redes de Computadores envolve conceitos difíceis de serem entendidos na forma pedagógica tradicional, ou seja, de forma estática. Ao mesmo tempo, os avanços tecnológicos criaram diversas possibilidades na educação, exigindo o desenvolvimento de novas práticas pedagógicas que contribuam para o processo de ensino e aprendizagem. A criação de ambientes virtuais imersivos e o tratamento de questões relacionadas com a computação sensível ao contexto podem auxiliar nesse processo. Para isso, foi desenvolvido nesta dissertação um ambiente virtual imersivo para o ensino de Redes de Computadores que trata informações de contexto do aluno (e.g., tecnologia, estilo cognitivo e qualidade do contexto), proporcionando ao mesmo uma aprendizagem significativa, a partir da integração e interação entre usuários e tecnologia. Para atingir os objetivos deste trabalho foi realizada uma pesquisa exploratória com estudo de caso, a fim de verificar se a utilização de um ambiente virtual imersivo pode facilitar e/ou melhorar o processo de aprendizagem da disciplina de Redes de Computadores. A construção desse ambiente, denominado TCN5, teve como base quatro elementos principais, sendo esses, o WampServer, o OpenSimulator, o Sloodle e o Moodle UVLEQoC, que agrega as características tanto dos módulos U-SEA 2.0 e SEDECA 2.0 como do Tema Bootstrap, aplicando parâmetros e métricas de QoC sobre as informações coletadas no ambiente, com o objetivo de garantir que o contexto formulado esteja adequado às preferências e necessidades dos alunos. Para verificar a viabilidade prática do trabalho quanto à utilização do ambiente por meio do uso de dispositivos móveis foi realizado um estudo de caso, que demonstrou que apesar das tecnologias móveis permitirem a realização da maioria das atividades propostas, existem ainda algumas limitações tecnológicas que dificultam a utilização desses dispositivos no contexto educacional. Ao mesmo tempo, foi realizada uma análise comparativa entre os diversos visualizadores de mundos virtuais disponíveis, apontando vantagens e desvantagens, considerando aspectos de processamento, recursos disponibilizados e tipos de arquivos suportados. Por fim, foi realizado um estudo Não-Experimental utilizando uma Arquitetura Pedagógica, que serviu como base para a utilização e avaliação do ambiente por uma turma de 25 alunos da disciplina de Redes de Computadores do Curso de Ciência da Computação da Universidade Federal de Santa Maria. Os resultados obtidos durante a avaliação com os alunos atenderam as expectativas, alcançando uma classificação Excelente na escala do teste de usabilidade SUS, bem como um aumento considerável na média obtida na elaboração dos mapas conceituais após a utilização do TCN5, um indício de que o ambiente auxiliou, pelo menos em parte, na construção do conhecimento dessa turma, apesar das limitações e dificuldades encontradas durante o seu desenvolvimento.
Bradley, Christopher Simon. "The synthesis and characterisation of Langmuir-Blodgett film forming TCNQ adducts." Thesis, Sheffield Hallam University, 1999. http://shura.shu.ac.uk/19388/.
Full textYan, Bingjia. "A crystal engineering study of molecular electronic behaviour in TCNQ salts." Thesis, University of Southampton, 2016. https://eprints.soton.ac.uk/392934/.
Full textShimomura, Satoru. "Studies on Syntheses and Properties of TCNQ based Porous Coordination Polymers." 京都大学 (Kyoto University), 2011. http://hdl.handle.net/2433/142185.
Full textSantamaría, Prado Patricia. "Elektrokatalytische Erzeugung von Cu-TCNQ in Lösungsmittelgemischen und Charakterisierung der entstehenden Schichten." [S.l.] : [s.n.], 2006. http://deposit.ddb.de/cgi-bin/dokserv?idn=982459327.
Full textMilián, Medina Begoña. "Análogos tiofénicos del TCNQ: Estudio teórico de las propiedades estructurales y electrónicas." Doctoral thesis, Universitat de València, 2004. http://hdl.handle.net/10803/10266.
Full textThe present Doctoral Thesis deals with the theoretical study of the structural and electronic properties of TCNE, TCNQ, thiophene-TCNQ, and its derivatives. Such derivatives result from the modification of the thiophenic spacer in thiophene-TCNQ through different strategies like the extension of the p-system of the thiophene ring by fusion of aromatic rings, leading to the isotianaphthene-TCNQ and its pyrazine analogue molecules, or by introduction of vinylic groups; the linear extension of the quinonoid structure through repetition of the central thiophene moiety, leading to quinonoid dimers, trimers and tetramers, or through annelation of thiophene and benzene rings; and finally, The introduction of electron donor and electron acceptor groups in the same molecule, giving rise to the "push-pull" systems. The molecules studied have been chosen because of their interest in the field of electroactive molecular materials. Density functional theory, in its time-independent and time-dependent versions (DFT and TDDFT, respectively), has been extensively used. The quality and suitability of the DFT procedures have been calibrated by using more accurate methodological approaches (CCSD, CCSD(T), and CASSCF/CASPT2). The quantum-chemical calculations have made possible to rationalize the structural and electronic properties of the different families of thiophenic analogues of TCNQ, in their neutral and reduced states, paying special attention to the influence that the structural modifications have on the electron acceptor properties (electron affinity and redox properties) of these compounds.
Grassi, Henri. "Études expérimentales et théoriques du complexe de transfert de charge TEA (TCNQ)₂." Nice, 1987. http://www.theses.fr/1987NICE4116.
Full textBouveret, Yves. "Structure des phases modulées incommensurables basse température du conducteur unidimensionnel TTF-TCNQ." Paris 11, 1988. http://www.theses.fr/1988PA112163.
Full textThis thesis deals with the determination of the structure of the low temperature modulated phases at normal pressure of the organic quasi-one dimens10nal conductors TTF-TCNO and TSF-TCNO. This structural study by X ray diffraction techniques, leads us to express the displacement scheme of the Peierls distortions in lowest temperature modulated phase of TTF-TCNO ("locking phase") in terms of inter and intra molecular displacement modes. We show the prominence of the translation components over the liberation components of the displacements. These results reveal also an important intramolecular deformation of the TCNO molecule. Such a displacive behaviour is explained using considerations of the molecular orbitals related to the charge density wave (CDW) on the two types of chains, and the stacking configuration of the molecules inside the conducting chains. This displacement scheme allows to determine the structure of the CDW in the "locking phase". We show that the first order transition at 38 K which leads to the "locking phase", is associated to a modulation of the ampl1tude and the phase of the CDW on the TTF chains and a modulation of the phase of the cow on the TCNO chains. A simple theoretical model base on the coulombic interactions between the nearest chains, enables to explain the higher stability of the structure of the CDW determined experimentally, with respect to the structure of the previous phase ("Sliding phase"). This model shows that this transition corresponds to a change of the 1nteraction mode between the CDW m the direction of the axes, and yiels phases for each component of the modulation, in good agreement with those obtained experimentally. Finally we propose an interpretation of the "locking mechanism" for the lowest temperature phase at the special value qa = 0. 3a*
Harberts, Megan Marie. "Materials engineering, characterization, and applications of the organic-based magnet, V[TCNE]." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1440096659.
Full textGrassi, Henri. "Etudes expérimentales et théorique du complexe de transfert de charge TEA(TCNQ)." Grenoble 2 : ANRT, 1987. http://catalogue.bnf.fr/ark:/12148/cb376055766.
Full textBouveret, Yves. "Structure des phases modulées incommensurables basse température du conducteur unidimensionnel TTF-TCNQ." Grenoble 2 : ANRT, 1988. http://catalogue.bnf.fr/ark:/12148/cb376122745.
Full textCrouch, David James. "Synthesis and molecular properties of zwitterionic adducts of TCNQ and other related compounds." Thesis, Sheffield Hallam University, 1999. http://shura.shu.ac.uk/3134/.
Full textFichet, Odile. "Films minces conducteurs : étude des monocouches et multicouches de dérivés amphiphiles du TCNQ." Bordeaux 1, 1992. http://www.theses.fr/1992BOR10608.
Full textSantos, Jaciara Nascimento. "Síntese e determinação da estrutura cristalina de um novo semicondutor molecular com aminoantraquinona (AAQ) e tetracianoquinodimetano (TCNQ) e uma contribuição à química de coordenação do TCNQ com cobre (II) em THF." Pós-Graduação em Química, 2013. https://ri.ufs.br/handle/riufs/6150.
Full textA reação da 1-aminoantraquinona com o 7,7 ,8,8 -tetracianoquinodimentano em diclorometano resultou na formação de um complexo de transferência de carga com características de um semicondutor, com fórmula C14H9NO2·C12H4N4. As moléculas possuem um desvio máximo do plano ideal através dos átomos não-hidrogenóides de 0,0769(14) Å para um oxigênio do grupo oxo e de 0,1175(17) Å para um grupo ciano. O ângulo entre os planos formados pelas moléculas é de 3,55(3)º. No cristal, as moléculas estão empilhadas em colunas ao longo da direção cristalográfica a. Pares de interações de hidrogênio do tipo N-H...N e N-H...O conectam as moléculas de forma perpendicular à direção do empilhamento. Adicionalmente, uma ligação de hidrogênio intramolecular é observada para a 1-Aminoantraquinona. Uma transferência de carga está presente, tendo em vista que a resistência elétrica cai com o acréscimo da temperatura, indicando características de um semicondutor. A partir dos dados da resistência elétrica, a equação de Arrhenius ln(1/R) x 1/T fornece um comportamento preponderantemente linear, do qual uma pequena barreira térmica para o transporte de carga de 1,25 eV pode ser derivada. Cristais com coloração marrom escuro, adequados para a análise via difração de raios-X em monocristal podem ser obtidos pela lenta evaporação do solvente. Análise elementar: Calc. 73,1 C, 3,1 H, 16,4 N; encontrado experimentalmente 72,8 C, 3,4 H, 16,6 N. O ponto de fusão foi determinado via calorimetria diferencial e o valor é de 520 K. Uma decomposição exotérmica ocorre em 555 K. Os dados deste trabalho já estão publicados em Oliveira et al., Acta Cryst. (2013). E69, o301. A química de coordenação do tetracianoquinodimetado foi investigada com uma reação com cobre (II) em tetrahidrofurano. Os resultados foram analisados via espectroscopia no infravermelho, análise térmica e voltametria cíclica, que mostraram a coordenação através do grupo ciano do tetracianoquinodimetano com o centro metálico.
Houser, Christopher L. "Synthesis of New Molecule-Based Magnets using Bridging Organic Radicals." Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/91440.
Full textDoctor of Philosophy
Several new families of organic molecules have been created and examined for use as building blocks of molecule-based magnets. These families include fluorodicyanostilbenes, a tetrachlorodicyanostilbene, naphthyltricyanoethylenes, bromophenyltricyanoethylenes, and an anthryltricyanoethylene. The 3-D magnetic scaffoldings were created by combining an individual organic molecule in one of the families listed above with vanadium. The magnets created in this study were examined using a SQUID magnetometer, elemental analysis, and infrared spectroscopy. Some of the combinations of the organic molecules with vanadium failed to result in a 3-D magnetic scaffolding and showed no magnetic properties. Others showed magnetic properties in the below certain temperatures in the range of 95 K – 260 K. The magnetic properties were compared among families of molecules and correlated with individual properties of each molecule such as electronic effects and structure.
Luz, Rita de Cássia Silva. "Desenvolvimento de sensores eletroquímicos à base de filmes com TCNX (tetracianoquinodimetano e tetracianoetileno) para a determinação de compostos fenólicos." [s.n.], 2007. http://repositorio.unicamp.br/jspui/handle/REPOSIP/248406.
Full textTese (doutorado) - Universidade Estadual de Campinas, Instituto de Química
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Resumo: Neste trabalho é descrito o desenvolvimento de sensores eletroquímicos à base de compostos com TCNX (tetracianoetileno e tetracianoquinodimetano) para a determinação de compostos fenólicos. Para este propósito foram preparados eletrodos de carbono vítreo modificados com tetracianoetileneto de lítio (LiTCNE) e bis(tetracianoquinodimetaneto) de bis(fenantrolina) de cobre (lI) [Cu(phen)2(TCNQ)2], ambos imobilizados em filmes de poli-l-lisina (PLL). Após esta etapa, o eletrodo modificado com LiTCNE/PLL foi testado para verificar a capacidade de eletrocatálise da reação de redução de p-nitrofenol enquanto que o eletrodo modificado com Cu(phen)2(TCNQ)2/PLL foi utilizado para a oxidação de catecol. As técnicas utilizadas para a realização deste trabalho foram a voltametria cíclica, voltametria de varredura linear, amperometria, voltametria de pulso diferencial e voltametria de onda quadrada, as quais foram utilizadas para estudar o comportamento dos eletrodos modificados, para a otimização dos parâmetros experimentais, obtenção dos parâmetros cinéticos e caracterização analítica dos sensores. Os hidrodinâmicos foram realizados com o objetivo de obter maiores informações sobre os processos de redução e oxidação de p-nitrofenol e catecol, respectivamente, sobre os eletrodos modificados. Através do gráfico de Koutech-Levich foi possível obter os valores para o coeficiente de difusão e constante de velocidade da reação (k) para os analitos em estudo. Os valores do coeficiente de difusão e de k, determinados para o p-nitrofenol, foram de 9,03 x 10 cm s e 1,65 x 10 mol L s, enquanto que para o catecol, os valores do coeficiente de difusão e de k, foram de 4,6 x 10 cm s e 1,3 x 10 mol L s, respectivamente. O aumento na velocidade de reação, tanto para o p-nitrofenol como para o catecol, foi atribuído à eficiente transferência eletrônica entre as espécies estudadas e os compostos eletroativos imobilizados nas superficies dos eletrodos de carbono vítreo. O eletrodo modificado com filme de LiTCNE/PLL apresentou uma ampla faixa de resposta linear, sensibilidade, limite de detecção e quantificação de 0,001 a 5 mmol L, 42,90 mA cm L mmol, 0,3 e 1,0 nmol L (n= 10), respectivamente, para o de p-nitrofenol, enquanto que o eletrodo modificado com Cu(phen)2(TCNQ)2/PLL apresentou uma faixa de resposta linear, sensibilidade, limite de detecção e quantificação de 0,005 a 5 mmol L (n=8), 16,10 mA cm, 1,5 e 5,0 nmol L, para o catecol. Após a aplicação destes sensores em amostras de interesse, estudos de adição e recuperação dos analitos foram realizados para avaliar a exatidão dos métodos e verificou-se que em ambos os casos foi possível uma percentagem de recuperação entre 98,87 e 104,5% para o p-nitrofenol e 99,1 e 100,1 % para o catecol
Abstract: In this work is describing the development of electrochemical sensors based on TCNX (tetracyanoquinodimethane and tetracyanoethylene) for phenolics compound determination. For this purpose glass carbon electrodes were modified with lithium tetracyanoethylenide (LiTCNE) and bis (tetracyanoquinodimethanide) of bis (phenantroline) of copper (II) [Cu(phen)2(TCNQ)2], both immobilized at films of poly-l-lysine (PLL). After this step, the modified electrode with LiTCNE/PLL was tested to verify the electrocatalysis capacity of the reduction of p-nitrofenol and the electrode modified with Cu (phen)2(TCNQ)2/PLL for the catechol oxidation. The techniques used for the accomplishment of this work were the cyclic voltametry, linear sweep voltametry, amperometry, differential pulse voltametry, and square wave voltametry, which were used to study the behavior of the modified electrodes, for the experimental parameters optimization, for the attainment of the kinetic parameters and analytical characterization of the sensors. Hydrodynamic studies were carried out with the aim to get information on the reduction processes and oxidation of p-nitrofenol and catechol, respectively, on the modified electrodes. Through the Koutech-Levich plot it was possible to obtain the values for the diffusion coefficient (Do) and kinetic constant of the reaction (k) for the analyte in study. The values of the diffusion coefficient and k, determined for p-nitrofenol, were 9,03 x 10 cm s and 1,65 10 x mol L s, whereas for catechol, the values of Do and k were 4,6 x 10 cm s e 1,3 x 10 mol L s, respectively. The increase of the reaction rate for p-nitrofenol and catechol was attributed to the efficient electron transfer between the studied species and immobilized electroactives species on superface the glassy carbon electrodes surface. The electrode modified with LiTCNE/PLL presented a wide linear response range, as well as sensitivity, detection and quantification limit of 0,001 up to 5 mmol L, 42,90 mA cm L mmol, 0,3 and 1,0 nmol L (n=10) for the p-nitrophenol, whereas the electrode modified with [Cu(phen)2(TCNQ)2], presented a linear range, sensitivity, detection and quantification limit of 0,005 a 5 mmol L (n=8), 16,10 mA cm, 1,5 e 5,0 nmol L, respectively, for catechol. After the application of these sensors in samples of interest, studies of addition and recovery of the analytes were carried out to evaluate the error of the methods and was verified that in both the cases a recovery percentages between 98,8 and 104,5% for p-nitrofenol and, 99,1 e 100,1 % for catechol
Doutorado
Quimica Analitica
Doutora em Ciências
Mabrouk, Manel. "Structure électronique des couches minces organiques." Thesis, Aix-Marseille, 2016. http://www.theses.fr/2016AIXM4343.
Full textThis thesis presents research work on self-organized metal-organic monolayers. We have theoretically investigated the structural, electronic and magnetic properties of two-dimensional TM-Pc (Pc: phthalocyanine) and TM-TCNB (TCNB: tetracyanobenzene) where TM is the transition metal for the 3d, 4d or 5d series. The calculations are performed by density functional theory taking into account the Hubbard term (DFT+U) using the VASP simulation code (Vienna Ab-initio Simulation Package). In addition, the adsorption of the Fe-Pc molecule on the gold surface Au(111) was studied via SGGA and SGGA+U
Kornelsen, Kevin E. "Far-infrared reflectivity measurements including thin films of ice and a mosaic of TTF-TCNQ crystals." Thesis, University of British Columbia, 1986. http://hdl.handle.net/2429/25905.
Full textScience, Faculty of
Physics and Astronomy, Department of
Graduate
GHEZZAL, ELHASSANE. "Realisation et caracterisation de composites conducteurs par transfert de charge entre le cuivre et le tetracyanoquinodimethane (tcnq)." Nice, 1992. http://www.theses.fr/1992NICE4563.
Full textWolf, Hilke. "Data Quality Bench-Marking for High Resolution Bragg Data." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2014. http://hdl.handle.net/11858/00-1735-0000-0022-5DE2-A.
Full textRiou, Laurent. "Mecanismes de fixation cellulaire de tcn-noet, un nouveau traceur radioactif de la perfusion myocardique." Université Joseph Fourier (Grenoble), 1999. http://www.theses.fr/1999GRE10111.
Full textПолудненко, Т. В. "Вплив домішок Li-тетраціанохінодіметана на електропровідність планарно орієнтованого нематичного рідкого кристала Е25М." Thesis, Київський національний університет технологій та дизайну, 2019. https://er.knutd.edu.ua/handle/123456789/13887.
Full textAjlani, Abdallah. "Elaboration de polyéthylène conducteur par inclusion de sel (TTF-TCNQ) : caractérisation électrique et propriétés de détection chimique en phase gazeuse." Lyon 1, 1994. http://www.theses.fr/1994LYO10248.
Full textAngel, Ceballos Isandra Fortuna. "Late Pleistocene deglaciation histories in the central Mérida Andes (Venezuela)." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAU002/document.
Full textThe central Mérida Andes (Venezuela) landscape is characterized by the presence of well-preserved glacial landforms located between 2400 and 4978 m a.s.l. Geomorphological studies of these glacial landforms significantly contribute to the Venezuelan Andes glaciations reconstructions. However, Last Glaciation (locally called Mérida Glaciation) was poorly reconstructed because of limited chronological data. This dissertation attempts to contribute to the Last Glaciation reconstruction and paleoclimate knowledge since the late Pleistocene. Accordance this necessity, the methodology involved geomorphological analysis and geochronological study. Glacial landforms were dated based on the Terrestrial Cosmogenic Nuclide dating (10Be). This method is suitable for date quartz-rich materials and for the period of interest. To deduce paleoclimate conditions an analysis based on paleo ELA was developed.In the central Mérida Andes different Late Pleistocene glacier dynamics were identified. In the Mucubají and the Mucuchache valleys, successive stages of glacier stop-advance were identified during an overall glacier withdrawal. In the Gavidia and Mifafí valleys, glacier withdrawal was rapid with the highest retreat rates (between 4-7 km/ky). Morphometric features as glaciers bottom valley slopes, accumulation zone topography (glaciers cirques with steep walls), areas and orientation controlled different glaciers dynamics.Glacier advances were evidenced between 2500-4200 m. MIS 3 glaciers advances has been recognized in the Sierra Nevada. These were related to the highest runoff in the north of South America produced by the Intertropical Convergence Zone (ITCZ) and the local warm and wet climate conditions (locally named El Pedregal Interstadial). LGM glacier advances were recorded in Sierra Nevada in the Mucubají and Las Tapias between 3100-3600 m. MIS 2 Glaciers advances mainly occurred during the Oldest Dryas- El Caballo Stadial at around 17 ka. These glaciers advances correlate to the cold temperatures in the North Hemisphere and the coldest temperatures recorded in tropical ice cores.KeywordsTerrestrial cosmogenic nuclides dating, TCN, cosmogenic dating, glacial landforms, Andes Mérida, Venezuela. Pleistocene, Last Glaciation, LGM, paleo ELA, tropic paleoclimate
Viklund, Joel. "Synthesis of sequential data." Thesis, Uppsala universitet, Avdelningen för systemteknik, 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-443542.
Full textCappussi, Francesco. "Sintesi e caratterizzazione di cristalli charge-transfer da derivati di [1]Benzotieno[3,2-b][1]benzotiofene e tetracianochinodimetano." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2021. http://amslaurea.unibo.it/23428/.
Full textAguirre, Brockway Romina Pía. "Efecto de algunos factores genético-ambientales sobre el tamaño de camada al nacimiento en cerdos. I. Tamaño de la Camada Nacidos Vivos (TCNV)." Tesis, Universidad de Chile, 2006. http://repositorio.uchile.cl/handle/2250/134133.
Full textChile, según información reciente de USDA, se encuentra en el sexto lugar de los principales exportadores de carne porcina del mundo. Para responder a esta demanda, los productores de cerdos se han preocupado de mejorar sus índices productivos, entre los que se encuentra el tamaño de camada nacidos vivos (TCNV). Dentro de este marco se inserta este trabajo que tuvo por objetivo, conocer el efecto del número ordinal de parto (NOP), mes de monta (MM), número de inseminaciones artificiales (NIA), criadero, partero y maternidad, sobre el TCNV dentro de 2 líneas genéticas porcinas. La variable TCNV se definió como el número de lechones nacidos vivos por parto. El trabajo se realizó con un total de 11.096 registros obtenidos de 5 criaderos industriales de la VI Región de Chile. El promedio general para el TCNV encontrado fue de 11,62 ± 3,12 lechones, observándose que la línea genética L-42 (Landrace x Large White), es superior a la línea genética Large White (LW) (11,89 ± 3,19 y 11,14 ± 2,89, respectivamente). Los resultados muestran un importante efecto del NOP sobre el TCNV en ambas líneas genéticas (p ≤ 0,05). El MM no constituye un factor de variación para el TCNV, tanto en la línea genética L-42 como el la línea genética LW (p > 0,05), pero se observó una tendencia a un incremento del TCNV para las inseminaciones realizadas en invierno. Con respecto al NIA, se observa un aumento no significativo del TCNV cuando las hembras son inseminadas 3 o 4 veces durante el estro (p > 0,05). El efecto criadero o plantel no fue significativo, para las líneas genéticas estudiadas. (p > 0,05) El efecto partero constituye una fuente de variación sobre el TCNV (p ≤ 0,05), para ambas líneas genéticas, respectivamente, mientras que el efecto maternidad no afectó el TCNV (p > 0,05).
Kormoš, Lukáš. "2D molekulární systémy na površích." Doctoral thesis, Vysoké učení technické v Brně. CEITEC VUT, 2021. http://www.nusl.cz/ntk/nusl-438774.
Full textPASQUALINI, ROBERTO. "Nouvelle methode de synthese de complexes de technetium comportant le cur (tcn)2+ : application a la preparation de radiopharmaceutiques." Paris 11, 1995. http://www.theses.fr/1995PA112386.
Full textRoberts, Vincent. "Kelvin Probe Examination of Organic/Metallic Semiconductors." Ohio University Honors Tutorial College / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=ouhonors1340137774.
Full textChen, Chia-Yi. "Chemically Tailored Organic-Based Magnets to Exploit Optical Control of Magnetization and Depth-Resolved Magnetization in V[TCNE]x~2 via Polarized Neutron Reflectivity." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1293405276.
Full textShawulienu, Kezilebieke. "Scanning tunneling microscopy and spectroscopy of metal organic complexes : from single atoms to extended networks." Thesis, Strasbourg, 2014. http://www.theses.fr/2014STRAE005/document.
Full textIn the bottom up approach of today’s nanoscience, the supramolecular assembly of metal atoms and molecules on surfaces is leading to functional compounds, relevant to many applications in optoelectronics, magnetism, and catalysis. It has been found that in some cases high magnetic spin states and strong magnetic anisotropy appear as a result of electron transfer between ligands, surface and metal atom. The focus of this thesis lies on the self assembling of 1,2,4,5-Tetracyanobenzene (TCNB) and Fe-TCNB coordination nanostructures on the Au(111) surface. The structural formation is directed by the non covalent interactions. Scanning tunneling spectroscopy (STS) reveal that the TCNB molecules are physisorbed on Au(111) surface. By detail analysis of the dI/dV spectra above the TCNB monolayer on the Au(111) surface, we found that the TCNB molecules on Au(111) shows a negligible charge transfer with Au(111) substrate and a small adsorption energy of 0.5 eV per TCNB molecules. STS measurement provide a HOMO-LUMO gap of 3 eV in agreement with DFT calculations. By controlling the fabrication parameters, surface coordination nanostructures with different chemical composition or molecular packing have been synthesized. The electronic properties have been characterized by the local dI/dV analysis of the metal centers at different steps of a Fe-(TCNB)x (x=4, 2) complexes formation. At low temperature deposition, first form an ordered metastable intermediate. STM data yield the bond angle between the Fe-N-C is 120°. The scanning tunneling spectroscopy reveal that Fe atoms and the TCNB molecules keep their identity while the Fe atoms localize the surface-state electrons similar to what they do on the bare Au(111) surface. This result indicates that the TCNB molecules are virtually in the same electronic state as before the Fe adsorption. The situations are different when the deposition performance at room temperature. When the temperature is changed, to room temperature, the original entities transform into the Fe(TCNB)4 monomer complexes with 180° Fe-N-C bond angles. The STS above the Fe(TCNB)4 complex strongly suggest that the coordination bond had been formed between the Fe atom and the TCNB ligands. DFT calculations support the conclusions and drawn from experimental studies and assist the interpretations of experiment. Further structural complexation is achieved by the synthesis of Fe(TCNB)2 network. The network has a square structure with a regular separation of the magnetic Fe atoms in the network. The electronic information is gathered from the spectroscopic labeling of FePc to identify some of the resonances of the Fe(TCNB)2 network. There are similar features are found in the dI/dV spectra above the Fe atoms and ligand in both system, indicating that the Fe somehow feels a similar environment from the TCNB ligands in the network and in the FePc molecules. Further analysis of this feature have been disused by means of metal-ligand bond formation
Veder, Jean-Pierre M. "The development of a rigorous nanocharacterization scheme for electrochemical systems." Thesis, Curtin University, 2010. http://hdl.handle.net/20.500.11937/2119.
Full textAlmqvist, Olof. "A comparative study between algorithms for time series forecasting on customer prediction : An investigation into the performance of ARIMA, RNN, LSTM, TCN and HMM." Thesis, Högskolan i Skövde, Institutionen för informationsteknologi, 2019. http://urn.kb.se/resolve?urn=urn:nbn:se:his:diva-16974.
Full textBerti, Matteo. "Anomalous Activity Detection with Temporal Convolutional Networks in HPC Systems." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2020. http://amslaurea.unibo.it/22185/.
Full text