Phosphines exchange in quadruply bonded metal dimers: Theoretical proposal for an alternative to the internal flip mechanism

Yves Jean; Agusti Lledos

doi:10.1039/a802706d

Phosphines exchange in quadruply bonded metal dimers: Theoretical proposal for an alternative to the internal flip mechanism

Yves Jean, Agusti Lledos

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

9 Citations (Scopus)

Abstract

The non-concerted jumping of two phosphine ligands from one metal center to the other in [Mo2Cl4(PH3)4] is found to be < 30 kcal mol-1 (1 cal = 4.184 J) energy costing process (DFT calculations).

Original language	English
Pages (from-to)	1443-1444
Journal	Chemical Communications
Issue number	14
DOIs	https://doi.org/10.1039/a802706d
Publication status	Published - 21 Jul 1998

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title = "Phosphines exchange in quadruply bonded metal dimers: Theoretical proposal for an alternative to the internal flip mechanism",

abstract = "The non-concerted jumping of two phosphine ligands from one metal center to the other in [Mo2Cl4(PH3)4] is found to be < 30 kcal mol-1 (1 cal = 4.184 J) energy costing process (DFT calculations).",

author = "Yves Jean and Agusti Lledos",

year = "1998",

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doi = "10.1039/a802706d",

language = "English",

pages = "1443--1444",

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T1 - Phosphines exchange in quadruply bonded metal dimers: Theoretical proposal for an alternative to the internal flip mechanism

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AU - Lledos, Agusti

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Y1 - 1998/7/21

N2 - The non-concerted jumping of two phosphine ligands from one metal center to the other in [Mo2Cl4(PH3)4] is found to be < 30 kcal mol-1 (1 cal = 4.184 J) energy costing process (DFT calculations).

AB - The non-concerted jumping of two phosphine ligands from one metal center to the other in [Mo2Cl4(PH3)4] is found to be < 30 kcal mol-1 (1 cal = 4.184 J) energy costing process (DFT calculations).

U2 - 10.1039/a802706d

DO - 10.1039/a802706d

M3 - Article

SP - 1443

EP - 1444

IS - 14

ER -

Phosphines exchange in quadruply bonded metal dimers: Theoretical proposal for an alternative to the internal flip mechanism

Abstract

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