Electronic structure of intermediate complexes in the oxidation of phosphine by divalent copper halides

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

“…23 Common experimental indications of tunneling are a high kinetic isotope effect (KIE) and temperature independent rates (producing negligible Arrhenius activation energies and low pre-activation factors). 23,24 In contrast, QMT dynamic JT in solid state systems was already proposed 25,26 by Bersuker in 1963 and later conrmed experimentally mostly by cryogenic EPR detection of tunnelling splitting (3G) in solid solutions of JT active centres in insulators (such as Cu 2+ doped MgO 2,9,[27][28][29][30][31][32][33] ). These systems have seen a revival due to their potential use in quantum computers, colossal magnetoresistance, and even in superconductivity.…”