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Heavy-atom tunnelling in Cu(ii)N6 complexes: theoretical predictions and experimental manifestation
Itzhak Sedgi1,2, Sebastian Kozuch1
1Department of Chemistry, Ben-Gurion University of the Negev Beer-Sheva 841051 Israel kozuch@bgu.ac.il.
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.
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