Communications

Metal carbonyl derivatives of CB₆ and NB₆ species: molecular rotors with hypercoordinated units

T. N. Gribanova, R. M. Minyaev, V. I. Minkin

Institute of Physical and Organic Chemistry, Southern Federal University, 344090 Rostov-on-Don, Russian Federation

Abstract: DFT calculations predict stability of 18-electron metal carbonyl derivatives of the CB₆ and CN₆ species, which represent a new structural type of metal coordination compounds with non-classical ligands containing a hypercoordinated central atom. These systems exist as mixtures of isoenergetic conformers associated with the rotation of metal carbonyl groups, thus being a kind of ‘free rotors’.

Keywords: hypercoordinate carbon, hypercoordinate nitrogen, CB₆ complexes, NB₆ complexes, pyramidal structures, metal carbonyl derivatives, rotation process, 18-electron rule, hypercoordination, molecular rotors.

Received: 24.06.2025
Revised: 01.08.2025

Language: English

DOI: 10.71267/mencom.7856

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