Is solvated I-3(-) angular?

In this communication, we address the question of the geometry of the groun d state of the solvated triiodide anion from a theoretical perspective. We use a simple, physically motivated and transparent model comprising a tight -binding molecular orbital scheme, point charges and an Onsager reaction fi eld to describe the anion and its liquid environment. We suggest the possib ility of an angular I-3(-) geometry originating from the coupling of a mole cular dipole to the polarizable solvent once the strength of the reaction f ield exceeds a critical value. The theoretical results are compared to rece nt experimental findings. (C) 2001 Elsevier Science B.V. All rights reserve d.