Results 31 to 40 of about 7,731 (240)

A Neutral “Masked” Diborene and Its Reactivity Toward Metal‐Free Pyridine Homocoupling

open access: yesAngewandte Chemie, EarlyView.
An unprecedented neutral “masked” diborene, formed via intramolecular arene dearomatization of an N‐heterocyclic imine‐supported free diborene, can be photochemically released to regenerate the highly reactive triplet diborene intermediate. Computational analysis elucidates the bonding situation of the hitherto elusive free diborene species, and the ...
Ke Li   +4 more
wiley   +2 more sources

Um Estudo Químico-quântico da Covalência Intermolecular em Sistemas Estabilizados por Ligações de Hidrogênio π∙∙∙H e N∙∙∙H: Cálculos DFT, ChelpG, NBO e QTAIM

open access: yesOrbital: The Electronic Journal of Chemistry, 2016
In this work, density functional calculations at BHandHLYP/6-311++G(d,p) theoretical level of structural parameters, electronic properties and vibration modes of the C2H2∙∙∙HCN∙∙∙HF and C2H4∙∙∙HCN∙∙∙HF T-shaped hydrogen complexes is presented. As is well-
Danilo Guimarães do Rego   +1 more
doaj   +1 more source

On the Ability of Bismuth to Couple Weakly Coordinating Anions

open access: yesAngewandte Chemie, EarlyView.
Motivated by the growing number of catalytic processes based on high‐valent Bi, we investigated in silico the reductive elimination step responsible for the coupling of weakly coordinating anions. Relativistic contributions appeared to be decisive to the electronic description of the intermediates involved in this process.
Lucas Mele   +3 more
wiley   +2 more sources

1,7‐Digallatetracarborane: Between Nucleophilic closo‐Cluster and “Inverse Sandwich” Digallylene

open access: yesAngewandte Chemie, EarlyView.
A dianionic π‐ligand is used to make a Janus‐type twofold complex with low‐valent gallium Ga(+I). The resulting compound can be seen as and reveals the reactivity of both: a Wade‐type closo‐carborane cluster with nucleophilic Ga‐sites, as well as π‐ligand stabilized Ga(I) atoms in an inverse sandwich compound.
Julijan Sarcevic   +4 more
wiley   +2 more sources

Photocatalytic activity in graded off-valent cations substituted NaNbO3

open access: yesHeliyon
This study investigates the impact of off-valent doping on the photocatalytic properties of NaNbO3 concerning the degradation of Methylene Blue. Compositions with x values of 0.00 (representing pure NaNbO3, denoted as NBO) and 0.05 within the material ...
Rajbala Nain, R.K. Dwivedi
doaj   +1 more source

Heavier Alkyne‐Ni0 Complexes, [R2E2·Ni] (E = Sn, Pb), Exhibiting σ‐Complex Character

open access: yesAngewandte Chemie, EarlyView.
Using a reductive group elimination strategy, heavier alkyne (LEEL; E = Sn, Pb) complexes of Ni0 are accessed. In contrast to classical alkyne coordination, these systems are best described as σ‐complexes, driven by ligand‐induced constraints and the established poor π‐bonding in heavier alkyne analogues.
Leopold Junge   +3 more
wiley   +2 more sources

Nucleophilic Gallyl Anions Enable Ga─Au Bimetallic Ammonia Activation

open access: yesAngewandte Chemie, EarlyView.
Unlocking gallyl nucleophiles: Counterion control enables formation of an unsupported gallyl─gold complex. Gold coordination induces a polarity switch at gallium, enabling cooperative activation of NH3 and related N─H/O─H substrates under mild conditions.
Hellen Videa   +3 more
wiley   +2 more sources

Structure of Imidazolium-N-phthalolylglycinate Salt Hydrate: Combined Experimental and Quantum Chemical Calculations Studies

open access: yesCrystals, 2020
An organic supramolecular salt hydrate (imidazolium:N-phthalolylglycinate:H2O; IM+-NPG−-HYD) has been examined for its charge-transfer (CT) characteristics. Accordingly, IM+−NPG−−HYD has been characterized thoroughly using various
Mohammad Usman   +4 more
doaj   +1 more source

Thermally activated epitaxy of NbO

open access: yesPhysical Review Materials
To appear in PR ...
Sandra Glotzer   +2 more
openaire   +2 more sources

Potassium‐Ligand Cooperation Facilitated Chemical Bond Activation and Catalytic Hydrogenation

open access: yesAngewandte Chemie, EarlyView.
A new strategy for alkali metal‐mediated catalysis based on metal–ligand cooperation (MLC) is presented. Potassium pincer complexes exhibit remarkable reactivity toward a range of molecules via an unprecedented potassium–ligand cooperative mechanism. This reactivity enables potassium‐catalyzed hydrogenation, providing efficient reduction of ketones and
Yaoyu Liang   +6 more
wiley   +2 more sources

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