Zobrazeno 1 - 10
of 565
pro vyhledávání: '"Pi backbonding"'
Publikováno v:
Chemistry – A European Journal. 27:17849-17861
A case study on the effect of the employment of two different NHC ligands in complexes [Ni(NHC)2 ] (NHC=i Pr2 ImMe 1Me , Mes2 Im 2) and their behavior towards alkynes is reported. The reaction of a mixture of [Ni2 (i Pr2 ImMe )4 (μ-(η2 : η2 )-COD)
Autor:
Michael L. Tarlton, Jochen Autschbach, Justin R. Walensky, Xiaojuan Yu, Steven P. Kelley, Robert J. Ward
Publikováno v:
Chemistry – A European Journal. 27:14396-14400
The coordination of tBuNC and CO with the diarsenido complexes (C5 Me5 )2 An(η2 -As2 Mes2 ), An=Th, U, has been investigated. For the first time, a comparison between isostructural complexes of ThIV and UIV has been possible with CO; density functio
Publikováno v:
The Journal of Physical Chemistry A. 125:7956-7966
The nature of donor-acceptor interactions is important for the understanding of dative bonding and can provide vital insights into many chemical processes. Here, we have performed a computational study to elucidate substantial differences between dif
Publikováno v:
The Journal of Physical Chemistry A. 125:7207-7216
A theoretical analysis of reductive coupling of isocyanide and CO mediated by a Cr-Cr quintuple bonded complex and B-B multiple bonded complexes shows how the difference in donor-acceptor capability of isocyanide and CO ligands controls the product d
Autor:
Ralf Tonner, Carsten Jenne, Sebastian Kawa, Martin Mayer, Knut R. Asmis, Harald Knorke, Jonas Warneke, Francine Horn, Markus Rohdenburg
Publikováno v:
Chemistry – A European Journal. 27:10274-10281
Electrophilic anions of type [B12 X11 ]- posses a vacant positive boron binding site within the anion. In a comparatitve experimental and theoretical study, the reactivity of [B12 X11 ]- with X=F, Cl, Br, I, CN is characterized towards different nucl
Autor:
Martin Head-Gordon, Hayden A. Evans, Craig M. Brown, Hiroyasu Furukawa, Romit Chakraborty, Henry Z. H. Jiang, Jeffrey R. Long, David E. Jaramillo
Publikováno v:
Journal of the American Chemical Society. 143:6248-6256
The widespread implementation of H2 as a fuel is currently hindered by the high pressures or cryogenic temperatures required to achieve reasonable storage densities. In contrast, the realization of materials that strongly and reversibly adsorb hydrog
Publikováno v:
Australian Journal of Chemistry. 74:503-513
The electronic structures of N-heterocyclic carbenes (NHC) imidazolinylidene, thiazolinylidene, imidazolylidene, thiazolylidene, and 1,2,4-triazolylidene and their complexes with cuprous halides (CuX, X = Cl, Br, I) were investigated theoretically at
Publikováno v:
Physical Chemistry Chemical Physics. 23:16816-16826
Hydrated cobalt(i) cluster ions, [Co(H2O)n]+, can decompose the inert nitrous oxide molecule, N2O. Density functional theory suggests that N2O can anchor to Co+ of [Co(N2O)(H2O)n]+ through either O end-on (η1-OL) or N end-on (η1-NL) coordinate mode
Publikováno v:
European Journal of Inorganic Chemistry. 2021:37-42
Publikováno v:
Angewandte Chemie. 132:19848-19851
Mitigating ambient nitrogen dioxide (NO2 ) pollution via selective adsorption on porous materials is a promising approach to tackle such an increasingly pressing environmental health issue. However, very few porous adsorbents have sufficiently high N