On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study

Noël Lugan; Israel Fernández; Rémy Brousses; Dmitry A. Valyaev; Guy Lavigne; Nikolai A. Ustynyuk

doi:10.1039/C2DT32554C

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Dalton Transactions

Issue 4, 2013

The international journal for inorganic, organometallic and bioinorganic chemistry

Impact Factor 3.838 48 Issues per Year Indexed in MEDLINE

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On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study

Noël Lugan,*^a^b Israel Fernández,*^c Rémy Brousses,^a^b Dmitry A. Valyaev,^a^b^d Guy Lavigne^a^b and Nikolai A. Ustynyuk^d

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Laboratoire de Chimie de Coordination du CNRS, 205 route de Narbonne, BP 44099, 31077 Toulouse Cedex 4, France
E-mail: noel.lugan@lcc-toulouse.fr ;
Fax: +33 5 61 55 30 03 ;
Tel: +33 5 61 33 31 71

Université de Toulouse, UPS, INPT, 31077 Toulouse Cedex 4, France

Departamento de Química Orgánica, Facultad de Química, Universidad Complutense, 28040 Madrid, Spain
E-mail: israel@quim.ucm.es

A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov str., GSP-1, B-334, 119991 Moscow, Russia

Dalton Trans., 2013,42, 898-901

DOI: 10.1039/C2DT32554C
Received 24 Oct 2012, Accepted 22 Nov 2012
First published online 22 Nov 2012

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The prevalence of a counterintuitive carbene conformation in a series of piano-stool Mn(I) alkylalkoxycarbene complexes was rationalized by means of DFT calculations and high-resolution XRD analysis in terms of stabilizing non-covalent C–HC [triple bond, length as m-dash] O interligand interactions.