Heavy-atom tunnelling in Cu(ii)N6 complexes: Theoretical predictions and experimental manifestation

Itzhak Sedgi, Sebastian Kozuch

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The degenerate rearrangement on Jahn-Teller distorted metal complexes is a promising reaction for the observation of significant heavy atom quantum mechanical tunnelling. Herein, a family of Cu(ii)-N6 complexes are theoretically proven to exhibit rapid dynamical Jahn-Teller tunneling even close to the absolute zero. The manifestation of our predictions apparently appeared in solid state EPR experimental measurements on [Cu(en)3]SO4 more than 40 years ago, without the authors realizing that it was a quantum outcome.

Original languageEnglish
Pages (from-to)2828-2833
Number of pages6
JournalChemical Science
Volume11
Issue number10
DOIs
StatePublished - 14 Mar 2020

ASJC Scopus subject areas

  • Chemistry (all)

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