Theoretical evidence for a paramagnetic ground state of the cluster ion [(η5-C5Me5)3Re 3(μ2-O)6]2+

Peter Hofmann; Notker Rösch

doi:10.1039/C39860000843

Theoretical evidence for a paramagnetic ground state of the cluster ion [(η⁵-C₅Me₅)₃Re ₃(μ₂-O)₆]²⁺

Peter Hofmann, Notker Rösch

Professur für Theoretische Chemie (2008 — 2024)

Technische Universität München

Publikation: Beitrag in Fachzeitschrift › Artikel › Begutachtung

11 Zitate (Scopus)

Abstract

The electronic structure of uncapped trinuclear clusters of early transition metals with six μ2 bridging and three terminal arene ligands (η⁵, η⁶) has been analysed, a triplet ground state being predicted for the recently synthesized cluster ion [(η⁵- C₅Me₅)₃Re₃(μ₂-O) ₆]²⁺, at variance with the reported interpretation of n.m.r. data, which indicates diamagnetism.

Originalsprache	Englisch
Seiten (von - bis)	843-844
Seitenumfang	2
Fachzeitschrift	Journal of the Chemical Society, Chemical Communications
Ausgabenummer	11
DOIs	https://doi.org/10.1039/C39860000843
Publikationsstatus	Veröffentlicht - 1986

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title = "Theoretical evidence for a paramagnetic ground state of the cluster ion [(η5-C5Me5)3Re 3(μ2-O)6]2+",

abstract = "The electronic structure of uncapped trinuclear clusters of early transition metals with six μ2 bridging and three terminal arene ligands (η5, η6) has been analysed, a triplet ground state being predicted for the recently synthesized cluster ion [(η5- C5Me5)3Re3(μ2-O) 6]2+, at variance with the reported interpretation of n.m.r. data, which indicates diamagnetism.",

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N2 - The electronic structure of uncapped trinuclear clusters of early transition metals with six μ2 bridging and three terminal arene ligands (η5, η6) has been analysed, a triplet ground state being predicted for the recently synthesized cluster ion [(η5- C5Me5)3Re3(μ2-O) 6]2+, at variance with the reported interpretation of n.m.r. data, which indicates diamagnetism.

AB - The electronic structure of uncapped trinuclear clusters of early transition metals with six μ2 bridging and three terminal arene ligands (η5, η6) has been analysed, a triplet ground state being predicted for the recently synthesized cluster ion [(η5- C5Me5)3Re3(μ2-O) 6]2+, at variance with the reported interpretation of n.m.r. data, which indicates diamagnetism.

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