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

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.

SUBMITTER: Sedgi I

PROVIDER: S-EPMC8157485 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature

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

Sedgi Itzhak I Kozuch Sebastian S

Chemical science 20200218 10

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 ...[more]

PMID: 34084343

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