trans-cis C-Pd-C rearrangement in hemichelates

Kinetically unstable heteroleptic trans-bispalladacycles were isolated by using hemichelation. Three structures of trans isomers and five of cis isomers were characterized by X-ray diffraction analysis. The ready trans-to-cis isomerization of such hemichelates that was monitored by variable temperat...

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Published in:Dalton transactions : an international journal of inorganic chemistry 2017, Vol.46 (25), p.8125-8137
Main Authors: Werlé, Christophe, Dohm, Sebastian, Bailly, Corinne, Karmazin, Lydia, Ricard, Louis, Sieffert, Nicolas, Pfeffer, Michel, Hansen, Andreas, Grimme, Stefan, Djukic, Jean-Pierre
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Language:English
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Chelates
Chemical Sciences
Density functional theory
Isomerization
Isomers
Mathematical analysis
Monitoring
Other
Preserves
X ray diffraction
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cited_by cdi_FETCH-LOGICAL-c354t-18402875ed859375089932ce7bd39c6548a9c36c37703c59005948ca0ffec4623
cites cdi_FETCH-LOGICAL-c354t-18402875ed859375089932ce7bd39c6548a9c36c37703c59005948ca0ffec4623
container_end_page 8137
container_issue 25
container_start_page 8125
container_title Dalton transactions : an international journal of inorganic chemistry
container_volume 46
creator Werlé, Christophe
Dohm, Sebastian
Bailly, Corinne
Karmazin, Lydia
Ricard, Louis
Sieffert, Nicolas
Pfeffer, Michel
Hansen, Andreas
Grimme, Stefan
Djukic, Jean-Pierre
description Kinetically unstable heteroleptic trans-bispalladacycles were isolated by using hemichelation. Three structures of trans isomers and five of cis isomers were characterized by X-ray diffraction analysis. The ready trans-to-cis isomerization of such hemichelates that was monitored by variable temperature NMR experiments is facilitated dynamically because the Pd(ii) center can preserve its square planar coordination in a rather low lying transition state, which was localized by methods of the density functional theory. This process is not achievable in the isomerization of conventional homoleptic trans-bispalladacycles since it involves the preliminary partial chelate decoordination and an unfavorable high-lying planar trigonal coordinated - or Y-shaped-Pd(ii) transition state according to DFT investigations.
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source Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list)
subjects Chelates
Chemical Sciences
Density functional theory
Isomerization
Isomers
Mathematical analysis
Monitoring
Other
Preserves
X ray diffraction
title trans-cis C-Pd-C rearrangement in hemichelates
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