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Insight into the Mechanism of R-R Reductive Elimination from the Six-Coordinate d6 Complexes L2Pt(R)4 (R = vinyl, Me)

journal contribution
posted on 2023-05-17, 07:57 authored by Alireza AriafardAlireza Ariafard, Ejehi, Z, Sadrara, H, Mehrabi, T, Etaati, S, Moradzadeh, A, Moshtaghi, M, Nosrati, H, Brookes, NJ, Brian YatesBrian Yates
We have used density functional theory to investigate the reductive elimination from platinum(IV) structures of the form L(2)PtR(4) where L = PMe(3), PH(3), PF(3), CO, NH(3) and R = vinyl, Me. We conclude that reductive elimination occurs via the L-predissociation pathway for R = Me, irrespective of ligand L. But when R = vinyl, direct elimination is the preferred pathway if the L ligand is PMe(3); otherwise both pathways are competitive for R = vinyl. We also note that if L is more pi-electron accepting and less a-electron donating, the reductive elimination from the six-coordinate complexes L(2)PtR(4) will be more rapid. Reductive elimination from the five-coordinate complexes LPtR(4) proceeds more easily if the ligand trans to the two R groups being coupled is more a-electron donating and the ligands cis to the two R groups are more pi-electron accepting.

History

Publication title

Organometallics

Volume

30

Pagination

422-432

ISSN

0276-7333

Department/School

School of Natural Sciences

Publisher

American Chemical Society

Place of publication

Washington, USA

Rights statement

Copyright © 2011 American Chemical Society

Repository Status

  • Restricted

Socio-economic Objectives

Expanding knowledge in the chemical sciences

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