A rhenium-cyclohexane complex with preferential binding of axial C-H bonds: a probe into the relative ability of C-H, C-D, and C-C bonds as hyperconjugative electron donors? | Health & Environmental Research Online (HERO)

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Citation
Tags

HERO ID

7951173

Reference Type

Journal Article

Title

A rhenium-cyclohexane complex with preferential binding of axial C-H bonds: a probe into the relative ability of C-H, C-D, and C-C bonds as hyperconjugative electron donors?

Author(s)

Lawes, DJ; Darwish, TA; Clark, T; Harper, JB; Ball, GE

Year

2006

Is Peer Reviewed?

Yes

Journal

Angewandte Chemie (International Edition)
ISSN: 1433-7851
EISSN: 1521-3773

Volume

Issue

Page Numbers

4486-4490

Language

English

PMID

16770822

DOI

10.1002/anie.200600313

Web of Science Id

WOS:000238927000017

Abstract

Which bonds bind better? According to NMR experiments with the alkane complex [CpRe(CO)2(cyclohexane)] at low temperatures, complexation with an axial proton is preferred over that through an equatorial one by about 1.5 kJ mol-1. Calculations support this order of binding energies. The preference is proposed to be due to stronger electron donation through hyperconjugation from a C-H bond than from a C-C bond. (Figure Presented) 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

Keywords

Ab initio calculations; Alkane ligands; C-H activation; Hyperconjugation; NMR spectroscopy