Bibliografías temáticas / Electron donating and electron accepting groups

Literatura académica sobre el tema "Electron donating and electron accepting groups"

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Publicado: 18 de mayo de 2024

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Artículos de revistas sobre el tema "Electron donating and electron accepting groups"

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Cao, Wei, Kang Wang, Isabelle Ledoux-Rak y Jianzhuang Jiang. "ABAB-type phthalocyanines simultaneously bearing electron donating and electron accepting groups. Synthesis, spectroscopy, and structure". Inorganic Chemistry Frontiers 3, n.º 9 (2016): 1146–51. http://dx.doi.org/10.1039/c6qi00147e.

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Mg(trans-TPTCPc) was successfully prepared and structurally characterized, representing the first structurally characterized ABAB-type phthalocyanine compound simultaneously bearing electron-donating and electron-accepting groups.
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Gudimetla, Vittal B., Liqing Ma, Marlena P. Washington, John L. Payton, M. Cather Simpson y John D. Protasiewicz. "meta-Terphenyl Phosphaalkenes Bearing Electron-Donating and -Accepting Groups". European Journal of Inorganic Chemistry 2010, n.º 6 (febrero de 2010): 854–65. http://dx.doi.org/10.1002/ejic.200900870.

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Sugihara, Yoshiaki, Naoto Inai, Masayasu Taki, Thomas Baumgartner, Ryosuke Kawakami, Takashi Saitou, Takeshi Imamura, Takeshi Yanai y Shigehiro Yamaguchi. "Donor–acceptor–acceptor-type near-infrared fluorophores that contain dithienophosphole oxide and boryl groups: effect of the boryl group on the nonradiative decay". Chemical Science 12, n.º 18 (2021): 6333–41. http://dx.doi.org/10.1039/d1sc00827g.

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Combination of electron-accepting diarylboryl terminal groups and dithienophosphole oxide spacers with electron-donating triarylamine moieties produces donor–acceptor–acceptor type π-systems, which exhibit emissions in the near-infrared region.
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Wierzbicka, Małgorzata, Irena Bylińska, Artur Sikorski, Cezary Czaplewski y Wiesław Wiczk. "Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives". Photochemical & Photobiological Sciences 14, n.º 12 (2015): 2251–60. http://dx.doi.org/10.1039/c5pp00150a.

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A series of symmetrically substituted diphenylbuta-1,3-diyne (DPB) derivatives possessing electron-donating or electron-accepting groups have been prepared and studied with emphasis on their spectral and photophysical properties.
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Zhang, Luqiong, Li Tian, Ming Li, Rongxing He y Wei Shen. "A theoretical study on tuning the electronic structures and photophysical properties of newly designed platinum(ii) complexes by adding substituents on functionalized ligands as highly efficient OLED emitters". Dalton Trans. 43, n.º 17 (2014): 6500–6512. http://dx.doi.org/10.1039/c3dt53209g.

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Setsoafia, Daniel Dodzi Yao, Kiran Sreedhar Ram, Hooman Mehdizadeh-Rad, David Ompong y Jai Singh. "Density Functional Theory Simulation of Optical and Photovoltaic Properties of DRTB-T Donor-Based Organic Solar Cells". International Journal of Energy Research 2023 (19 de octubre de 2023): 1–12. http://dx.doi.org/10.1155/2023/6696446.

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Using the density functional theory (DFT), the influence of substitution of electron-donating (OCH3 and OH) and electron-accepting (F and Cl) groups on the peripheral thiophene units of DRTB-T donor molecule is studied. By optimizing the geometric structure, HOMO and LUMO energies, reorganization energies, optical properties, and photovoltaic properties are simulated. It is found that the ionization potential of the electron-donating derivatives (DRTB-4OCH3 and DRTB-4OH) reduces, but it increases for the electron-accepting derivatives (DRTB-4F and DRTB-4Cl) in comparison with that of DRTB-T. It is also found that the absorption spectra of the electron-donating derivatives (DRTB-4OCH3 and DRTB-4OH) get redshifted, but these get blue shifted for the electron-accepting derivatives (DRTB-4F and DRTB-4Cl) in comparison with those of DRTB-T. These changes in the electronic and optical properties of the modified structures result in higher PCE in BHJ OSCs with the blended active layer of DRTB-4F: NITI, DRTB-4Cl: NITI, in comparison with that of OSC with the active layer of DRTB-T: NITI and the highest being 15.0% in DRTB-4Cl: NITI. Our results may be expected to provide valuable insights into design optimization, leading to the fabrication of more efficient OSCs.
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Yang, Fang-Ling, Ka Lu, Xing Yang, Chao-Xian Yan, Rui Wang, Weichun Ye, Pan-Pan Zhou y Zhaoyong Yang. "Computational investigations of intermolecular interactions between electron-accepting bromo- and iodo-pentafluorobenzene and electron-donating furan and thiophene". New Journal of Chemistry 42, n.º 24 (2018): 20101–12. http://dx.doi.org/10.1039/c8nj04611e.

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C6F5X (X = Br, I) exhibits intriguing σ- and π-hole characters, which enable it to accept electrons from the electron-rich atoms or groups in C4H4O and C4H4S via various intermolecular interactions.
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8

YUASA, MAKOTO, BEAT STEIGER y FRED C. ANSON. "Hydroxy-substituted Cobalt Tetraphenylporphyrins as Electrocatalysts for the Reduction of O2". Journal of Porphyrins and Phthalocyanines 01, n.º 02 (abril de 1997): 181–88. http://dx.doi.org/10.1002/(sici)1099-1409(199704)1:2<181::aid-jpp22>3.0.co;2-r.

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The possible effects of the electron-donating properties of p-hydroxyphenyl groups on the catalytic activity of cobalt porphyrins toward the electro-reduction of O 2 were explored with three cobalt porphyrins having p-hydroxyphenyl substituents in the meso position of the porphyrin ring. The porphyrins were examined as electrocatalysts adsorbed on the surfaces of pyrolytic graphite electrodes in aqueous solution and as homogeneous catalysts dissolved in methanolic solutions. The adsorbed molecules exhibited a higher catalytic activity than those in solution and accomplished the reduction of a portion of the O 2 molecules reaching the electrode to H 2 O . However, the four-electron reduction was indirect, with H 2 O 2 being formed as an intermediate that was subsequently reduced. Although the introduction of the electron-donating p-hydroxyphenyl substituents on the porphyrin ring altered the catalytic activity of the cobalt porphyrins, the effect was not as great as can be obtained by coordinating ruthenium (II) complexes to π-accepting ligands in the meso position of the porphyrin ring.
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Juma, Juma Mzume y Said AH Vuai. "Computational studies of the thermodynamic properties, and global and reactivity descriptors of fluorescein dye derivatives in acetonitrile using density functional theory". Journal of Chemical Research 45, n.º 7-8 (19 de febrero de 2021): 800–805. http://dx.doi.org/10.1177/1747519821994518.

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This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap, and thermodynamic properties of molecular dyes fluorescein (FS), fluorescein attached with methoxy (FSO), fluorescein attached with amine (FSA), fluorescein attached with methane (FSM), fluorescein attached with ethene (FSE), and fluorescein attached with thiophene (FST) using the hybrid functional B3LYP and 6-311G basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased which is important for easy transfer of electron from donating to the accepting group. For all dyes, highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to semiconductors and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the molecular dye attached to thiophene has the highest ionization potential. Meanwhile, a donating group with increased conjugation results in low electron affinity.
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Yamaguchi, Isao y Ryosuke Yamaji. "Synthesis of hydroxyoligophenylenes containing electron-donating, electron-accepting groups, or π-deficient aromatic ring and their solvatochromic behavior". Journal of Physical Organic Chemistry 30, n.º 10 (25 de noviembre de 2016): e3671. http://dx.doi.org/10.1002/poc.3671.

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Tesis sobre el tema "Electron donating and electron accepting groups"

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Sutradhar, Tanushree. "Theoretical investigation on optoelectronic properties of nanoclusters and conjugates". Thesis, University of North Bengal, 2021. http://ir.nbu.ac.in/handle/123456789/4750.

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Cheng, Hong-Yi y 陳鴻儀. "The synthesis of porphyrins with electron-withdrawing and -donating groups". Thesis, 2008. http://ndltd.ncl.edu.tw/handle/64541561928294591379.

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碩士
國立中興大學
化學系所
96
Abstract A series of zinc porphyrins with both electron donor and acceptor groups were synthesized for use as NLO chromophores in optoelectronic materials and devices.The porphyrin bridge connecting D and A groups should provide a pathway for strong electronic coupling between D and A. Organic molecules with strong electron donor and electron aceptor groups that are connected by a large conjugated π– electron system usually show high β values, so we utilized a ethynyl unit to extendπ– conjugation of the systems. The preparation of porphyrins with ethyne-linked functional groups can be achieved by the sonogashira cross-coupling method. Light - harvesting arrays that consist of porphyrin and perylene units were synthesized. These arrays show broad absorption in the visible region. The energy transfer between porphyrin and perylene pigments was investigated by fluorescence spectroscopy. We except that porphyrin – perylene systems have high energy conversion efficiency in solar cells.
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Capítulos de libros sobre el tema "Electron donating and electron accepting groups"

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Bachrach, Steven M. "More Hard Truths". En Thinking Like a Physical Organic Chemist, 130—C13F6. Oxford University Press, 2023. http://dx.doi.org/10.1093/oso/9780197640371.003.0013.

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Abstract Organic chemistry textbooks commonly discuss alkyl groups (groups composed of carbon and hydrogen atoms) as electron donating. This chapter presents the standard experiments that support that notion and delves into the gas-phase acidity experiments that upend this standard explanation.
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2

Vinduja, Puttanveedu y Karuvanthodi Muraleedharan. "Theoretical Studies on Anti-Oxidant Activity of the Phytochemical, Coumestrol and Its Derivatives". En Functional Foods - Phytochemicals and Health Promoting Potential. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.96967.

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Free radical-induced changes in cellular and organ levels have been studied as a possible underlying cause of various adverse health conditions. Important research efforts have, therefore, been made to discover more powerful and potent antioxidants/free radical scavengers for the treatment of these adverse conditions. The phytoestrogen coumestrol intensively attracted scientific interest due to their efficient pharmacological activities. In this scenario, DFT studies were carried out to test the antiradical activities of coumestrol and its derivatives. The results obtained from FEDAM plots demonstrated that the coumestrol derivatives pointed out were good radical scavengers relative to the parent molecule in the gas phase. The derivatives whose 16thposition substituted with electron-donating groups like -NH2, -OCH3 and -CH3 showed good antioxidant capacity. Three antioxidant mechanisms, including hydrogen atom transfer (HAT), electron transfer followed by proton transfer (SET-PT), and sequential proton loss electron transfer (SPLET), were investigated by measuring thermodynamic parameters.
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Agrawal, Pratibha S., M. K. N. Yenkie, M. G. Bhotmange, B. D. Deshpande y S. J. Dhoble. "Degradation of Substituted Benzoic Acids Related to Structural Reactivity". En Water Pollution Sources and Purification: Challenges and Scope, 75–89. BENTHAM SCIENCE PUBLISHERS, 2022. http://dx.doi.org/10.2174/9789815050684122010006.

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The existence of organic acids in aqueous waste continues to be an important environmental concern because of the odor and toxicity they impart to water. The photochemical degradation of benzoic acids (BA) and some of the substituted benzoic acids (SBA), which act as environmental pollutants, are studied in the present investigation using the Advanced Oxidation Processes (AOPs) and combinations of different oxidants and UV irradiation (UV/H2O2 , UV/TiO2 , UV/ZnO, and Fe(III)- oxalate complex). The photo-oxidative degradation of these pollutants was followed by studying their concentration decay over the period of exposure to the UV-oxidant combination. The degradation kinetics of substituted benzoic acids (SBA) is observed to be dependent on the directory nature of the substituent groups, analyzed by the Hammett constant (σ), where electron-withdrawing groups (EWGs) show positive values and electron-donating groups (EDGs) account for its negative values. These observations figured out the processes that can be efficiently used for the system. Thus, this paper aims to examine parameters that affect the photocatalytic degradation of substituted benzoic acids.
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Hore, P. J. "Chemical shifts". En Nuclear Magnetic Resonance. Oxford University Press, 2015. http://dx.doi.org/10.1093/hesc/9780198703419.003.0002.

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This chapter discusses chemical shifts. These give information on molecular identity and structure. The nuclear magnetic resonance (NMR) frequency of a nucleus in a molecule is determined principally by its magnetogyric ratio and the strength of the magnetic field it experiences. Chemical shifts arise because the field actually experienced by a nucleus in an atom or molecule differs slightly from the external field produced by the magnet. A magnetic field can induce two kinds of electronic current in a molecule: diamagnetic and paramagnetic. Diamagnetic and paramagnetic currents flow in opposite directions and give rise to nuclear shielding and deshielding, respectively. Chemical shifts can often be understood by considering the effects of electron donating and withdrawing groups, induced currents in neighbouring groups, charged or polar groups, hydrogen bonds, and unpaired electrons.
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Keeler, James y Peter Wothers. "Transition metals". En Chemical Structure and Reactivity. Oxford University Press, 2013. http://dx.doi.org/10.1093/hesc/9780199604135.003.0019.

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This chapter assesses the d-block elements, which form Groups 3–11 and are collectively often referred to as the transition metals. The common feature of these elements is the presence of a partially filled d sub-shell. It is the presence of this partly filled shell which is responsible for most of the special properties which set the transition metals apart from main-group metals. These special properties include: the existence of compounds in which a particular element shows a range of oxidation states; the presence of unpaired electrons associated with the metal; the formation of coloured compounds and solutions; the formation of a large number of complexes in which the metal is surrounded by typically between four and six electron-donating ligands; and the formation of organometallic complexes in which the ligands have π systems. The chapter focuses mainly on transition metal complexes.
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Mellor, Sarah L. y Donald A. Wellings. "Synthesis of modified peptides". En Fmoc Solid Phase Peptide Synthesis. Oxford University Press, 1999. http://dx.doi.org/10.1093/oso/9780199637256.003.0010.

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Several important hormones such as oxytocin, secretin, and LHRH are known to be peptidyl amides. In addition to these, other peptidyl amides such as indolicidin and the protegrins have been shown to exhibit potent antimicrobial activity. The in vivo production of such compounds is via endogenous enzymatic cleavage of propeptides, making their synthesis by genetic engineering notoriously difficult. Furthermore, to facilitate the survival of synthetic peptidyl amides in vivo, an obvious defence against the action of carboxypeptidases is the N-alkylation of the carboxylic amide terminus. Such secondary amides would be expected to exhibit vastly different solubility and transport properties to primary amides, thus their chemical synthesis is of immense importance. The solid phase synthesis of peptidyl amides and peptidyl N-alkyl amides is centred around two main strategies: 1. Ammonolysis/aminolysis of resin-bound esters. 2. Use of resin-bound primary amines, which may in turn be chemically modified to generate novel secondary amine functionalized linkers for the synthesis of peptidyl N-alkyl amides. Early examples of the use of resin-bound amines for the solid synthesis of peptidyl amides involve the use of linkers such as benzhydrylamine or benzylamine. Following peptide assembly, these linkers require highly acidic (e.g. HF) mediated cleavage, and hence simultaneous removal of acid-labile sidechain protection groups occurs and may cause problems. Systematic modifications of these linker-resins by substitution with electron-donating substituents have resulted in the generation of numerous linker-resins with increased acid sensitivity. Notably, the 4-(2',4'-dimethoxyphenylaminomethyl) phenoxy derivatized (Rink) resin 1, which is cleavable by 95% v/v TFA, and the 5-(2-fluorenylmethoxycarbonylaminornethyl-3,5-dimethoxy)- phenoxyvaleric acid (PAL) linker 2 acidolysed by 75% v/v TFA. Greater acid lability has been achieved using the xanthenyl derivatized resin, 9-(fluorenylmethoxycarbonylamino)xanthen-3-yloxymethyl polystyrene (Sieber amide) resin 3, which besides being cleavable by 1% v/v TFA, holds the added advantage of readily undergoing reductive N-alkylation to afford resin-bound secondary amines for the synthesis of peptidyl N-alkyl amides. In addition to the method detailed below, a number of alternative approaches have recently been reported.
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Actas de conferencias sobre el tema "Electron donating and electron accepting groups"

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Runser, Claude, Marguerite Barzoukas, Alain Fort, Mireille Blanchard-Desce y Jean-Marie Lehn. "Push-pull polyenes with enhanced quadratic nonlinear susceptibilities". En The European Conference on Lasers and Electro-Optics. Washington, D.C.: Optica Publishing Group, 1994. http://dx.doi.org/10.1364/cleo_europe.1994.cwf42.

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Organic molecules have been extensively studied in view of their potential applications for second-harmonic generation and electrooptic modulation in nonlinear optics.1 Molecules bearing a donor- acceptor (or push-pull) substituted π electron system can yield significant quadratic hyperpolarizabilities β. In addition, early experimental studies on para disubstituted polyenic systems have shown superlinear dependences of β with the length of the conjugation path linking the electron-donating and electron-accepting end groups.2−4 Also semiempirical calculations conducted on two series of push-pull polyene series predicted a rapid increase in β with the number n of double bonds, the effect per unit volume saturating beyond n = 20.5 Clearly longer push-pull polyenes are relevant candidates for the design of compounds with dramatically enhanced nonlinearities.
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2

Chittibabu, K. G., L. Li, X. Wang, J. Kumar y S. K. Tripathy. "Thiophene based Nonlinear Optical Chromophore functionalized Epoxy Polymers for Electro-Optic Applications". En Organic Thin Films for Photonic Applications. Washington, D.C.: Optica Publishing Group, 1997. http://dx.doi.org/10.1364/otfa.1997.thc.4.

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Polymeric materials present certain advantages over inorganic crystals for second-order nonlinear optical (NLO) applications because of their low dielectric constant, large optical nonlinearity, low cost, and ease of processability. Stable NLO polymeric materials are potential candidates for electro-optic (EO) devices such as high bandwidth electro-optic modulators [1], optical interconnects [2], and fiber optic gyros [3]. Second-order NLO properties in polymers are present when the chromophores are aligned in a non-centrosymmetric manner. Chromophores with enhanced NLO susceptibilities can be obtained by increasing electron-donating and/or accepting effects [4], by extending the conjugation length between the donor and acceptor groups [5] and by replacing the phenyl moieties in the chromophores with thiophene moieties [6]. Efforts were made by our group [7] and various other groups [6, 8] to synthesize and optimize the properties of the chromophore functionalized polymers with high optical nonlinearity. Jen and coworkers synthesized a variety of thiophene based chromophores with high optical nonlinearity, 'μβ' [6, 8]. Many of these chromophores, when doped in a polymer matrix exhibited an electro-optic value greater than 20 pm/V. Marder and coworkers studied the effect of strong acceptors in NLO chromophores and have found that an 'r33' value of 55 pm/V at 1.313 μm is realizable with some of these chromophore doped polycarbonate composites. However, most of these systems are of guest-host type, which limit the chromophore solubility as well as temporal stability of the poled order in the NLO chromophore-polymer composites.
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3

Wong, Ken-Tsung. "Exciplex-forming Systems for High Efficiency OLEDs". En Solar Energy and Light-Emitting Devices. Washington, D.C.: Optica Publishing Group, 2023. http://dx.doi.org/10.1364/seled.2023.stu2d.2.

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Efficient thermally activated delayed fluorescence (TADF) OLED can be realized by blending electron-donating and electron-accepting materials for giving exciplex-forming system with high photoluminescence quantum yield (PLQY) and high horizontal emission dipole ratio (Θ//).
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Smith, David A. M., Scott Williams, P. Jenkner, Robert D. Miller, E. J. Ginsburg y Robin M. Hochstrasser. "Localization of excitations in silicon chains by electron donating side groups". En Optics Quebec, editado por Roger A. Lessard. SPIE, 1994. http://dx.doi.org/10.1117/12.166345.

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Liu, Li, Jie-Ping Shi, Hong-Wen Hu y Guo-Yuan Lu. "Photophysical properties of tribranched chromophores Based on 1,3,5-triazine core and 3,4-ethyllenedioxythiophene electron-donating end-groups". En 2011 IEEE 4th International Nanoelectronics Conference (INEC). IEEE, 2011. http://dx.doi.org/10.1109/inec.2011.5991650.

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MOTOYOSHIYA, J., T. TANAKA, M. KUROE y Y. NISHII. "CHEMILUMINESCENCE OF 9-BENZYLIDENE-10-METHYLACRIDANS WITH ELECTRON-DONATING GROUPS BY CHEMICALLY GENERATED SINGLET OXYGEN – APPLICATION TO METAL ION SENSING USING AZACROWNED COMPOUND". En Proceedings of the 15th International Symposium. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812839589_0054.

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