EDA‐NOCV analysis of carbene‐borylene bonded dinitrogen complexes for deeper bonding insight: A fair comparison with a metal‐dinitrogen system
Sign Up to like & getrecommendations! 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,… read more here.
Keywords: nocv analysis; eda nocv; dinitrogen complexes; dinitrogen ... See more keywords
Terminal end-on coordination of dinitrogen versus isoelectronic CO: A comparison using the charge displacement analysis.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: terminal end; dinitrogen; charge displacement; charge ... See more keywords
Computational investigation of functionalized carbenes on dinitrogen activation
Sign Up to like & getrecommendations! 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… read more here.
Keywords: computational investigation; investigation functionalized; functionalized carbenes; dinitrogen activation ... See more keywords
Atomization and hypergolic reactions of impinging streams of monomethylhydrazine and dinitrogen tetroxide
Sign Up to like & getrecommendations! 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… read more here.
Keywords: mon3 jets; dinitrogen; atomization; dinitrogen tetroxide ... See more keywords
Conversion of dinitrogen to ammonia by rhenium doped graphyne
Sign Up to like & getrecommendations! 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)… read more here.
Keywords: dinitrogen; conversion dinitrogen; dinitrogen ammonia; rhenium doped ... See more keywords
Exploring the Coordination Chemistry of N2 with Technetium PNP Pincer-Type Complexes.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: pincer; dinitrogen; type complexes; pincer type ... See more keywords
Synthesis and Reactivity of Cobalt-Dinitrogen Complexes Bearing Anionic PCP-Type Pincer Ligands toward Catalytic Silylamine Formation from Dinitrogen.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: dinitrogen complexes; cobalt; bearing anionic; complexes bearing ... See more keywords
Predicting Activation of Small Molecules Including Dinitrogen via a Carbene with a σ0π2 Electronic Configuration.
Sign Up to like & getrecommendations! Published in 2024 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.4c02272
Abstract: Although the main group species in the s and p blocks have begun to gain prominence in the field of dinitrogen (N2) activation in recent years, reports of carbene-mediated N2 activation remain particularly rare, especially… read more here.
Keywords: carbene electronic; dinitrogen; activation; carbene ... See more keywords
Displacement of Dinitrogen by Oxygen: A Methodology for the Catalytic Conversion of Diazocarbonyl Compounds to Ketocarbonyl Compounds by 2,6-Dichloropyridine-N-oxide.
Sign Up to like & getrecommendations! 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,… read more here.
Keywords: dinitrogen; methodology; dichloropyridine oxide; diazocarbonyl compounds ... See more keywords
Electroreduction of Nitrates, Nitrites, and Gaseous Nitrogen Oxides: A Potential Source of Ammonia in Dinitrogen Reduction Studies
Sign Up to like & getrecommendations! 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... read more here.
Keywords: dinitrogen; nitrates nitrites; electroreduction nitrates; nitrites gaseous ... See more keywords
Reduction of Dinitrogen via 2,3'-Bipyridine-Mediated Tetraboration.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: dinitrogen; bipyridine; dinitrogen via; bipyridine mediated ... See more keywords