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Electronic Transitions in Different Redox States of Trinuclear 5, 6, 11, 12, 17, 18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry. Issue 22 (18th November 2020)
Record Type:
Journal Article
Title:
Electronic Transitions in Different Redox States of Trinuclear 5, 6, 11, 12, 17, 18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry. Issue 22 (18th November 2020)
Main Title:
Electronic Transitions in Different Redox States of Trinuclear 5, 6, 11, 12, 17, 18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry
Abstract : The Cover Feature shows the trinuclear [(Cp2 Ti)3 HATN(Ph)6 ] complex exhibiting six 1e ‐ oxidations and three 1e ‐ reductions in voltammetry (Cover art by Luca Gerhards, Carl von Ossietzky University of Oldenburg). First principle calculations on TDDFT and CASSCF levels show that the ground state is formed by spin states of different multiplicity explaining the observed electronic transitions in the UV‐vis‐NIR ranges. More information can be found in the Article by Gunther Wittstock and co‐workers .