Crystallographic and Theoretical Evidences of Anion⋅⋅⋅Anion Interaction. Issue 9 (6th April 2021)

• Record Type: Journal Article
• Authors: Wysokiński, Rafał; Zierkiewicz, Wiktor; Michalczyk, Mariusz; Scheiner, Steve
• Is Part Of: Chemphyschem. Volume 22:Issue 9(2021)
• Page Start: 818
• Page End: 821
• Publication Date: 2021-04-06
• Subjects: electrostatic potential -- energy decomposition -- noncovalent interactions -- π-hole -- solvent effects; Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.202100132
• Languages: English
• ISSNs: 1439-4235

Abstract

Abstract: Planar (HgCl3 ) − anions are stacked fairly closely together in a slipped parallel arrangement within several crystal structures. Quantum chemical analysis shows evidence of strong noncovalent spodium bonds between the Hg π ‐hole of one unit and the Cl atom of an adjacent unit. Anion⋅⋅⋅anion spodium bonds work in tandem with crystal packing forces. Abstract : Combined experimental and theoretical analysis elaborates on a new idea in noncovalent bonding (namely, spodium bonding) linking two anionic subunits. This counterintuitive interaction involves Hg atoms as electron‐density acceptors.