Quantum-chemical study of valence tautomerism of a cobalt complex with phenoxybenzoquinone imine

Abstract

319 An important way to search for structures for molecular switches and memory cells of molecular computers is to study valence tautomerism of transi tion metal complexes [1–4]. This involves the exist ence of isomers with different charge and spin density distributions and, hence, different optical, electrical, and magnetic properties. Transitions between tauto meric forms accompanied by reversible intramolecu lar electron transfer have been studied in Mn and Co complexes with phenoxybenzoquinone imine [5, 6], which can form complexes with metals in the mono (Cat–N–BQ1–) and dianionic (Cat⎯N⎯SQ2–) forms.