Bond-bending isomerism and metallophilicity in metal-halogen anions (Cu,Ag,Au)₂X₃ ^-, X = F, Cl, Br, I, At.

ABSTRACT: In the framework of DFT (ABINIT package), we have performed atomic relaxations on the (Cu,Ag,Au)₂X₃ ^-, X = F, Cl, Br, I, At anion series. Opposite to linear (MX₂)^- anions, all (M₂X₃)^- systems are triangular (C _2v symmetry). According to the system, we classified these anions in three categories according to the relative strength of electronegativity, chemical hardness, metallophilicity and van der Waals interaction. We found two bond-bending isomers: (Au₂I₃)^- and (Au₂At₃)^-.

SUBMITTER: Siberchicot B 

PROVIDER: S-EPMC9979621 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature