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JOURNALS // Mendeleev Communications // Archive

Mendeleev Commun., 2022 Volume 32, Issue 1, Pages 49–51 (Mi mendc567)

This article is cited in 2 papers

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

Abstract: 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.

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

Language: English

DOI: 10.1016/j.mencom.2022.01.015



© Steklov Math. Inst. of RAS, 2025