Structurally recognizable electron density transfer in the donor–acceptor complex {1,2,4,5-tetra(thioethyl) benzene⋯bromine₂}_∞

Abstract

The crystal structure determination of a sulfur lone pair donor complex with bromine reveals an increase of the Br–Br bond length from 228 pm (gas-phase) to 241 pm, for which density functional theory calculations predict a –0.25 charge transfer in the ground state.