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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26832
Abstract: Binding of dinitrogen (N2) to a transition metal center (M) and followed by its activation under milder conditions is no longer impossible; rather, it is routinely studied in laboratories by transition metal complexes. In contrast,…
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Keywords:
nocv analysis;
eda nocv;
dinitrogen complexes;
dinitrogen ... See more keywords
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1
Published in 2022 at "Journal of computational chemistry"
DOI: 10.1002/jcc.26837
Abstract: The metal dinitrogen bonding in a wide series of terminal end-on dinitrogen complexes is investigated with the charge displacement analysis based on natural orbitals of chemical valence (CD-NOCV). The effect of the σ donation and…
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Keywords:
terminal end;
dinitrogen;
charge displacement;
charge ... See more keywords
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1
Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27046
Abstract: Activation of the dinitrogen triple bond is a crucial step in the overall fixation of atmospheric nitrogen into usable forms for industrial and biological applications. Current synthetic catalysts incorporate metal ions to facilitate the activation…
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Keywords:
computational investigation;
investigation functionalized;
functionalized carbenes;
dinitrogen activation ... See more keywords
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Published in 2017 at "Combustion and Flame"
DOI: 10.1016/j.combustflame.2017.07.005
Abstract: Abstract Impinging liquid jets of monomethylhydrazine (MMH) and MON3 (i.e. dinitrogen tetroxide containing 3 wt% NO) were observed with high-speed cameras in order to explore fluid and flame behaviors in the impinging region. At the…
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Keywords:
mon3 jets;
dinitrogen;
atomization;
dinitrogen tetroxide ... See more keywords
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Published in 2021 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2021.07.184
Abstract: Abstract Developing efficient catalysis for dinitrogen (N2) fixation is a very important and challenging issue in chemistry. Herein, by means of density functional theory (DFT) computations, we reported that the potential of single-atom Rhenium (Re)…
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Keywords:
dinitrogen;
conversion dinitrogen;
dinitrogen ammonia;
rhenium doped ... See more keywords
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Published in 2021 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c00503
Abstract: Dinitrogen (N2) complexes of technetium (99Tc) are rare, and only two examples have been reported. To complement this important class of complexes also for 99Tc, two different pincer-type complexes of 99Tc were studied to assess…
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Keywords:
pincer;
dinitrogen;
type complexes;
pincer type ... See more keywords
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Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c00234
Abstract: A series of cobalt(I)-dinitrogen complexes bearing anionic 4-substituted benzene-based PCP-type pincer ligands are synthesized and characterized. These complexes work as highly efficient catalysts for the formation of silylamine from dinitrogen under ambient reaction conditions to…
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Keywords:
dinitrogen complexes;
cobalt;
bearing anionic;
complexes bearing ... See more keywords
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0
Published in 2018 at "Organic letters"
DOI: 10.1021/acs.orglett.7b03912
Abstract: Dirhodium(II) catalyzed dinitrogen extrusion from diazocarbonyl compounds by 2,6-dichloropyridine-N-oxide forms ketocarbonyl compounds in near-quantitative yields. Reactions occur at room temperature, and the pyridine product does not coordinate with dirhodium(II) to inhibit catalysis. Anhydrous tricarbonyl compounds,…
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Keywords:
dinitrogen;
methodology;
dichloropyridine oxide;
diazocarbonyl compounds ... See more keywords
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Published in 2020 at "ACS energy letters"
DOI: 10.1021/acsenergylett.0c00924
Abstract: The results presented herein unambiguously demonstrate that neither nanoparticulate carbon-supported gold, nor bismuth powder are active catalysts for the electrocatalytic dinitrogen reduction, but...
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Keywords:
dinitrogen;
nitrates nitrites;
electroreduction nitrates;
nitrites gaseous ... See more keywords
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Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c00409
Abstract: A new molecular system for nitrogen reduction, involving a 2,3'-bipyridine-anchored, end-on-bridging dinitrogen complex of the Me2B-BMe2 intermediate (4), has been explored by theoretical methods. The 2,3'-bipyridine-mediated cleavage of the Bsp3-Bsp3 bond in 4 may lead…
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Keywords:
dinitrogen;
bipyridine;
dinitrogen via;
bipyridine mediated ... See more keywords
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1
Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c01851
Abstract: The activation and functionalization of dinitrogen (N2) with carbon dioxide (CO2) are of great interest and importance but highly challenging. We report here for the first time the reaction of N2 with CO2 in a…
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Keywords:
dititanium;
reaction co2;
carbon dioxide;
acripnp ... See more keywords