Bond energy M-C/H-C correlations:: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents

被引：91

作者：

Clot, E

Besora, M

Maseras, F

Mégret, C

Eisenstein, O ^{[1
]}

Oelckers, B

Perutz, RN

机构：

[1] Univ Montpellier 2, LSDSMS, UMR 5636, F-34095 Montpellier, France

[2] Univ Autonoma Barcelona, Unitat Quim Fis, Bellaterra 08193, Catalonia, Spain

[3] Pontificia Univ Catolica Valparaiso, Inst Quim, Valparaiso, Chile

[4] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England

来源：

CHEMICAL COMMUNICATIONS | 2003年 / 04期

关键词：

D O I：

10.1039/b210036n

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

DFT methods are used to quantify the relationship between M-C and H-C bond energies; for MLn = Re(eta(5)-C5H5)(CO)(2)H and fluorinated aryl ligands, theoretical and experimental investigations of ortho-fluorine substitution indicate a much larger increase in the M-C than in the H-C bond energy, so stabilising C-H activation products.

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页码：490 / 491

页数：2

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