Inorganic Chemistry

Destabilizing d. pi.-p. pi. orbital interactions and the alkylation reactions of iron (II)-thiolate complexes

MT Ashby, JH Enemark, DL Lichtenberger

文献索引：Ashby, Michael T.; Enemark, John H.; Lichtenberger, Dennis L. Inorganic Chemistry, 1988 , vol. 27, p. 191 - 197

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被引用次数: 85

摘要

For CpFe (CO)* SR (1)(R= C, H,-pZ; Z= OMe, H, C1, CF,, NOz) the r-type interaction between formally occupied metal d orbitals and the sulfur lone pair that is principally 3p in character has been modeled with Fenske-Hall molecular orbital calculations and experimentally investigated by gas-phase photoelectron spectroscopy. A calculation for 1 (R= H) predicts that the highest occupied molecular orbital (HOMO) is metalsulfur antibonding and largely ...