Molecular motions in a fluxional (η6-indenyl)tricarbonylchromium hemichelate: a density functional theory molecular dynamics study-Reference-Cited by-同舟云学术

Molecular motions in a fluxional (η6-indenyl)tricarbonylchromium hemichelate: a density functional theory molecular dynamics study

Published:2018 Issue:27 Volume:47 Page:8906-8920
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Sieffert Nicolas¹²³⁴^ORCID

Affiliation:

1. Univ. Grenoble-Alpes CNRS

2. DCM

3. F-38000 Grenoble

4. France

Abstract

DFT-MD simulations provided atomic-level insights into the intramolecular dynamics of a highly fluxional Pd(ii) hemichelate and a comprehensive understanding of the thermodynamics and the kinetics associated with each motion.

Funder

Université Grenoble Alpes

Centre National de la Recherche Scientifique

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/DT/C8DT01779D

Reference79 articles.

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4. Metal-stabilized carbanions V. A 1H NMR study of the structures of DI- and tri-phenylmethyl anions in benzylidene-ν5-tricarbonyl- (cyclohexadienyl)chromium(0)

5. ARENE-METAL COMPLEXES IN ORGANIC SYNTHESIS

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