V. I. Minkin, A. A. Starikova, “Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands”, Mendeleev Commun., 25:2 (2015), 83

Эта публикация цитируется в 43 статьях

Focus Article

Molecular design of the valence tautomeric mixed-ligand adducts of Co^II diketonates with redox-active ligands

V. I. Minkin^ab, A. A. Starikova^a

^a Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation
^b Southern Scientific Center of the Russian Academy of Sciences, Rostov-on-Don, Russian Federation

Аннотация: A new concept of the structural design of valence tautomeric (VT) systems involves a search for stable adducts of tetracoordinate transition metal complexes with bidentate redox-active ligands that meet the conditions of appropriate energy gaps and energy barriers between the electromeric forms of the complexes. A series of prospective VT systems has been found out based on the DFT/B3LYP*/ 6-311++G(d,p) theoretical modeling of their structures and properties. Intramolecular electron transfer between metal and ligand centers in the dinuclear VT 2:1 adducts of Co^II diketonates and redox-active tetradentate di-o-quinones is proposed as a new promising mechanistic paradigm for the design of 2-qubit molecular systems.

Язык публикации: английский

DOI: 10.1016/j.mencom.2015.03.002