Log in

Relevant bibliographies by topics / Nitroaromatic molecules

Contents

Journal articles

Academic literature on the topic 'Nitroaromatic molecules'

Author: Grafiati

Published: 25 May 2024

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the lists of relevant articles, books, theses, conference reports, and other scholarly sources on the topic 'Nitroaromatic molecules.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Journal articles on the topic "Nitroaromatic molecules"

1

Su, Xin Fang. "Density Functional Studies on the Standard Heats of Formation for Nitroaromatic Molecules." Advanced Materials Research 1095 (March 2015): 415–18. http://dx.doi.org/10.4028/www.scientific.net/amr.1095.415.

Full text

Abstract:

The standard heats of formation for 12 nitroaromatic molecules in gas at 298 K were calculated at B3P86/6-311G** levels using different isodesmic reactions. Comparison between the computational results and the experimental values reveals that using methane as reference compound to design isodesmic reaction is able to predict satisfactory results of heats of formation for ortho-substituted nitroaromatic molecules; however, using benzene as reference compound is able to give agreement with experimental data for meta-substituted and para-substituted nitroaromatic molecules.

APA, Harvard, Vancouver, ISO, and other styles

2

Su, Xin Fang, Wei Huang, and Hai Ying Wu. "Assessment of PBE0 Calculation of C-NO₂ Bond Dissociation Energies for Nitroaromatic System." Advanced Materials Research 915-916 (April 2014): 675–78. http://dx.doi.org/10.4028/www.scientific.net/amr.915-916.675.

Full text

Abstract:

Density functional theory (DFT) is used to calculate the C-NO2bond dissociation energies (BDEs) in nitrobenzene; 3-amino-nitrobenze; 4-amino-nitrobenze; 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2-methyl-nitrobenzene; 4-methyl-nitrobenzene and 1,3,5-trinitrobenzene nitroaromatic molecular system. B3P86 and PBE0 methods in combination with 6-31G** and 6-311G** basis sets are employed. Comparison between the computational results and the experimental values reveals that the calculated C-NO2bond BDEs can be improved from B3P86 to PBE0 functional. Level of theory employing PBE0/6-311G** is found to be sufficiently reliable to compute BDEs of C-NO2bond for nitroaromatic molecules with an average absolute error of 0.98 kcal mol-1.

APA, Harvard, Vancouver, ISO, and other styles

3

Cha, Inhwan, Seohyun Baek, Sun Gu Song, et al. "Inter- and Intra-Hydrogen Bonding Strategy to Control the Fluorescence of Acylhydrazone-Based Conjugated Microporous Polymers and Their Application to Nitroaromatics Detection." Macromol 1, no. 3 (2021): 234–42. http://dx.doi.org/10.3390/macromol1030016.

Full text

Abstract:

Acylhydrazone-based fluorescent conjugated microporous polymers (CMPs) with inter-and intra-hydrogen bonding-controlled emissive properties were prepared. The synthesized CMPs (BH-CMP and ABH-CMP) were characterized by Fourier-transform infrared spectroscopy, X-ray diffraction, solid-state 13C cross polarization/magic angle spinning nuclear magnetic resonance spectroscopy, and photoluminescence spectroscopy. Interestingly, BH-CMP exhibited emission enhancement via adsorption of water molecules, whereas the emission of ABH-CMP, which possesses free amine groups, decreased upon the addition of water molecules. The differences in the emission trends of BH-CMP and ABH-CMP in the presence of water molecules originate from the formation of different hydrogen-bonding networks in each CMP. The acylhydrazone-based CMPs were applied to the detection of nitroaromatic compounds. As a result, ABH-CMP in DMF exhibited high selectivity for 1,3,5-trinitrotoluene (TNT) over other nitroaromatic compounds nitrobenzene, 1-chloro-4-nitrobenzene, 2,3-dichloronitrobenzene, and 2,4-dinitrotoluene.

APA, Harvard, Vancouver, ISO, and other styles

4

Zhao, Shu-Man, Zhao-Feng Qiu, Zou-Hong Xu, Zi-Qing Huang, Yue Zhao, and Wei-Yin Sun. "Fluorescent Zn(ii) frameworks with multicarboxylate and pyridyl N-donor ligands for sensing specific anions and organic molecules." Dalton Transactions 51, no. 9 (2022): 3572–80. http://dx.doi.org/10.1039/d1dt04052a.

Full text

Abstract:

Three new Zn(ii)-based frameworks were fabricated and their fluorescence and sensing properties for specific anions and organic molecules such as benzaldehyde (BZH) and nitroaromatic compounds (NACs) were examined.

APA, Harvard, Vancouver, ISO, and other styles

5

Nakagaki, Ryoichi, Kiyoshi Mutai, Mitsuo Hiramatsu, Hideyuki Tukada, and Saburo Nakakura. "Magnetic field effects upon photochemistry of bichromophoric chain molecules containing nitroaromatic and arylamino moieties: Elucidation of reaction mechanism and control of reaction yields." Canadian Journal of Chemistry 66, no. 8 (1988): 1989–96. http://dx.doi.org/10.1139/v88-321.

Full text

Abstract:

The photochemistry of bichromophoric species containing nitroaromatic and arylamino moieties has been studied in the presence and absence of an external magnetic field. Photolysis products are an unsubstituted arylamine, a nitrosoaromatic species (Product 1), and a nitroaromatic compound (Product 2). On application of the magnetic field, the formation yield for Product 1 decreases and that for Product 2 correspondingly increases, whereas the consumption of the starting material and the release of the unsubstituted arylamine are independent of the magnetic field. Analysis of the magnetic field effects shows that the hyperfine coupling mechanism predominates and that the photoreaction takes place in the triplet manifold of the nitroaromatic moiety. Application of the magnetic field may cause an appreciable change in the relative yield of cage and escape products, i.e., the branching ratio of competitive processes.

APA, Harvard, Vancouver, ISO, and other styles

6

Ju, Kou-San, and Rebecca E. Parales. "Nitroaromatic Compounds, from Synthesis to Biodegradation." Microbiology and Molecular Biology Reviews 74, no. 2 (2010): 250–72. http://dx.doi.org/10.1128/mmbr.00006-10.

Full text

Abstract:

SUMMARY Nitroaromatic compounds are relatively rare in nature and have been introduced into the environment mainly by human activities. This important class of industrial chemicals is widely used in the synthesis of many diverse products, including dyes, polymers, pesticides, and explosives. Unfortunately, their extensive use has led to environmental contamination of soil and groundwater. The nitro group, which provides chemical and functional diversity in these molecules, also contributes to the recalcitrance of these compounds to biodegradation. The electron-withdrawing nature of the nitro group, in concert with the stability of the benzene ring, makes nitroaromatic compounds resistant to oxidative degradation. Recalcitrance is further compounded by their acute toxicity, mutagenicity, and easy reduction into carcinogenic aromatic amines. Nitroaromatic compounds are hazardous to human health and are registered on the U.S. Environmental Protection Agency's list of priority pollutants for environmental remediation. Although the majority of these compounds are synthetic in nature, microorganisms in contaminated environments have rapidly adapted to their presence by evolving new biodegradation pathways that take advantage of them as sources of carbon, nitrogen, and energy. This review provides an overview of the synthesis of both man-made and biogenic nitroaromatic compounds, the bacteria that have been identified to grow on and completely mineralize nitroaromatic compounds, and the pathways that are present in these strains. The possible evolutionary origins of the newly evolved pathways are also discussed.

APA, Harvard, Vancouver, ISO, and other styles

7

Yan, Jingjing, Alexander D. Carl, Alex R. Maag, et al. "Detection of adsorbates on emissive MOF surfaces with X-ray photoelectron spectroscopy." Dalton Transactions 48, no. 14 (2019): 4520–29. http://dx.doi.org/10.1039/c8dt04404j.

Full text

Abstract:

The luminescence of azobenzene chromophore struts in a metal organic framework is quenched by nitroaromatic guests. X-ray photoelectron spectroscopic methods verify the emission changes are due to the surface adsorption of the guest molecules rather than encapsulation.

APA, Harvard, Vancouver, ISO, and other styles

8

Francisco da Silva, Amauri, Antonio João da Silva Filho, Mário Vasconcellos, and Otávio Luís de Santana. "One-Electron Reduction Potentials: Calibration of Theoretical Protocols for Morita–Baylis–Hillman Nitroaromatic Compounds in Aprotic Media." Molecules 23, no. 9 (2018): 2129. http://dx.doi.org/10.3390/molecules23092129.

Full text

Abstract:

Nitroaromatic compounds—adducts of Morita–Baylis–Hillman (MBHA) reaction—have been applied in the treatment of malaria, leishmaniasis, and Chagas disease. The biological activity of these compounds is directly related to chemical reactivity in the environment, chemical structure of the compound, and reduction of the nitro group. Because of the last aspect, electrochemical methods are used to simulate the pharmacological activity of nitroaromatic compounds. In particular, previous studies have shown a correlation between the one-electron reduction potentials in aprotic medium (estimated by cyclic voltammetry) and antileishmanial activities (measured by the IC50) for a series of twelve MBHA. In the present work, two different computational protocols were calibrated to simulate the reduction potentials for this series of molecules with the aim of supporting the molecular modeling of new pharmacological compounds from the prediction of their reduction potentials. The results showed that it was possible to predict the experimental reduction potential for the calibration set with mean absolute errors of less than 25 mV (about 0.6 kcal·mol−1).

APA, Harvard, Vancouver, ISO, and other styles

9

Malval, Jean-Pierre, Marion Cranney, Sylvain Achelle та ін. "Porosity-driven large amplitude dynamics for nitroaromatic sensing with fluorescent films of alternating D–π–A molecules". Chemical Communications 55, № 95 (2019): 14331–34. http://dx.doi.org/10.1039/c9cc07227f.

Full text

Abstract:

Very large amplitude nitroaromatic sensing dynamics are observed upon a structural change within an alternating D–π–A chromophore initially configured to promote densely cofacial self-packing at a macromolecular scale.

APA, Harvard, Vancouver, ISO, and other styles

10

Marshall, A., A. Clark, R. Jennings, K. W. D. Ledingham, J. Sander, and R. P. Singhal. "Laser-induced dissociation, ionization and fragmentation processes in nitroaromatic molecules." International Journal of Mass Spectrometry and Ion Processes 116, no. 2 (1992): 143–56. http://dx.doi.org/10.1016/0168-1176(92)80124-j.

Full text

APA, Harvard, Vancouver, ISO, and other styles

More sources

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!