Planar Pentacoordinate Zinc Group Elements Stabilized by Multicentric Bonds

Amlan J Kalita; Indrani Baruah; Kangkan Sarmah; Ritam R Borah; Farnaz Yashmin; Ankur K Guha

doi:10.1021/acs.inorgchem.1c03426

Planar Pentacoordinate Zinc Group Elements Stabilized by Multicentric Bonds

Inorg Chem. 2022 Jan 24;61(3):1259-1263. doi: 10.1021/acs.inorgchem.1c03426. Epub 2022 Jan 10.

Authors

Amlan J Kalita¹, Indrani Baruah¹, Kangkan Sarmah¹, Ritam R Borah¹, Farnaz Yashmin¹, Ankur K Guha¹

Affiliation

¹ Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati 781001, Assam, India.

PMID: 35007083
DOI: 10.1021/acs.inorgchem.1c03426

Abstract

Planar pentacoordinate zinc group elements, (M = Zn, Cd, Hg) were computationally found to be at a global minimum in Li₅M⁺ clusters. The stability of these clusters is due to the presence of multicentric bonds. The central element (Zn, Cd, Hg) in each cluster features a negative oxidation state owing to the in-plane electron donation by the Li₅⁺ framework. A similar global minimum planar pentacoordinate structure is found in Na₅Zn⁺ and Na₅Cd⁺ clusters.