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Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3650-7
Abstract: Noncentrosymmetric π conjugated systems with suitable electron donor acceptor groups play a crucial role in material NLO activity. The influence of an electron donating mono substituent at the para position of the phenylene ring of…
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Keywords:
first order;
substituent;
order hyperpolarizability;
electron ... See more keywords
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Published in 2019 at "Ionics"
DOI: 10.1007/s11581-018-2819-5
Abstract: Salen-type Schiff base transition metal monomers with substituents Ni (CH3-salen), Ni (CH3O-salen), and Ni (Cl-salen) have been synthesized and electro-polymerized onto the indium tin oxide substrate electrodes. The effect of electron-donating groups on the electrochemical…
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Keywords:
ch3o salen;
polymer;
poly;
electron donating ... See more keywords
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Published in 2018 at "Indian Journal of Physics"
DOI: 10.1007/s12648-017-1075-2
Abstract: Density functional theory at CAM-B3LYP/6-311G++ (2d, 2p) level was employed to study the Triphenylboroxine derivatives (TB) containing electron donating and electron substituents, for their charge transfer and nonlinear optical properties. The results reveal that electron…
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Keywords:
structural opto;
theoretical study;
study structural;
electron ... See more keywords
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Published in 2020 at "Chemical engineering journal"
DOI: 10.1016/j.cej.2020.125044
Abstract: Three novel persulfate activators, Fe(II)-based metal-organic frameworks (MOFs) were synthesized for the degradation of sulfamethoxazole (SMX). The degradation experiment results showed that all the Fe(II)MOFs could effectively activate persulfate and degrade more than 97% SMX…
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Keywords:
donating properties;
metal organic;
strong electron;
activation ... See more keywords
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Published in 2021 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2021.131755
Abstract: Humic substances (HS) possess redox active groups covering a wide range of potentials and are used by facultative anaerobic microorganisms as electron acceptors. To serve as suitable electron shuttles for anaerobic respiration, HS should be…
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Keywords:
donating capacity;
transfer;
humic substances;
electron ... See more keywords
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Published in 2019 at "Inorganica Chimica Acta"
DOI: 10.1016/j.ica.2019.119155
Abstract: Abstract The three Cu(I) complexes [Cu(POP)(N^N)]PF6, N^N = 2-(1H-imidazol-2-yl)-5-(p-tolylethynyl)pyridine (P1), 2-(1H-imidazol-2-yl)-5-((4-methoxyphenyl)ethynyl)pyridine (P2), 4-((6-(1H-imidazol-2-yl)pyridin-3-yl)ethynyl)-N,N-diphenylaniline (P3), were prepared and characterized. The different electron-donating groups such as methylphenyl, methoxyphenyl, and diphenylamine substituents were functionalized onto the pyridine ring part of…
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Keywords:
synthesis spectroscopic;
donating groups;
acetylide linker;
spectroscopic dft ... See more keywords
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Published in 2020 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2019.121097
Abstract: Abstract Bidentate phosphines are important ligands in inorganic and organometallic chemistry. However, their electron-donating ability is generally limited by the use of alkyl groups at the phosphorus atoms. Herein, we report two different approaches to…
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Keywords:
imidazolin ylidenamino;
bidentate phosphines;
chemistry;
electron donating ... See more keywords
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Published in 2019 at "Journal of Photochemistry and Photobiology A: Chemistry"
DOI: 10.1016/j.jphotochem.2018.10.011
Abstract: Abstract The secondary amines present in the three bridges of a laterally non-symmetric aza-oxa cryptand have been partially substituted with anthryl groups to generate PET sensors in the format, fluorophore—spacer—receptor. Further, electron donating/withdrawing groups have…
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Keywords:
pet process;
transition inner;
electron;
inner transition ... See more keywords
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Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.04.022
Abstract: Abstract The molecular and crystal structure of the title compound in which two thiazole-2-amine rings are linked to each other by disulfide bridge ( C S S C ) were studied by single-crystal X-ray diffraction,…
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Keywords:
donating accepting;
amine groups;
geometry;
electron ... See more keywords
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Published in 2017 at "Organic Electronics"
DOI: 10.1016/j.orgel.2016.12.043
Abstract: Abstract A series of phenothiazine-based dyes containing different auxiliary chromophores (TP, TTP, EP, and EEP) bring about unusual power conversion efficiency (PCE) for the corresponding dye-sensitized solar cells (DSSCs): EEP with the best electron-donating capability…
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Keywords:
aggregation;
phenothiazine based;
dye sensitized;
sensitized solar ... See more keywords
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Published in 2021 at "Polyhedron"
DOI: 10.1016/j.poly.2021.115043
Abstract: Abstract The novel compounds [Fe2(μ-SC6H4-p-NO2)2(CO)6] (1), [Fe2(μ-SC6H4-p-tBu)(μ-SC6H4-p-NO2)(CO)6] (2), [Fe2(μ-SC6H4-p-tBu)2(CO)6] (3), [Fe2(μ-SC6H4-p-tBu)(μ-SC6H4-p-CF3)(CO)6] (4) and [Fe2(μ-SC6H4-p-OCH3)(μ-SC6H4-p-CF3)(CO)6] (5) have been characterized by 1H-NMR, FTIR, elemental analysis, and cyclic voltammetry. X-ray crystallography of compounds 1 and 2 reveal an…
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Keywords:
sc6h4;
withdrawing groups;
donating withdrawing;
fe2 sc6h4 ... See more keywords