M. G. Chegerev, A. A. Starikova, A. G. Starikov, V. I. Minkin, “Computational search for redox isomerism in Ge and Sn bis-chelates with α-diimine ligands”, Mendeleev Commun., 32:1 (2022), 49

Эта публикация цитируется в 2 статьях

Communications

Computational search for redox isomerism in Ge and Sn bis-chelates with α-diimine ligands

M. G. Chegerev, A. A. Starikova, A. G. Starikov, V. I. Minkin

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

Аннотация: The first examples of germanium and tin complexes with α-diimine ligands undergoing reversible redox isomeric (valence tautomeric) rearrangements were demonstrated based on the computational modeling of their dynamic behavior using DFT at the B3LYP/Def2TZVP level.

Ключевые слова: Group 14 elements, Diimines, Bis-chelates, Valence tautomerism, DFT calculations.

Язык публикации: английский

DOI: 10.1016/j.mencom.2022.01.015

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