Raman, infrared, and electronic spectra of titanium tetraiodide

Abstract

The Raman and i.r. spectra of titanium tetraiodide have been obtained for the first time, and values for the four fundamentals are given; they are, for T_d symmetry, 162 (a₁), 51 (e), and 323 and 67 cm^–1(t₂). Force-constant calculations are reported. The electronic spectrum of the molecule is also reported for the first time and partially interpreted. The intensity of the a₁ fundamental in the Raman spectrum is greater than that for any other molecular tetrahedral tetrahalide. Various thermodynamic functions for the molecule are calculated for the temperature 298·15 K.