INVESTIGATION OF ELECTRONIC STRUCTURE OF TICL4

The electronic absorption spectrum of gaseous TiCl4 over the range 4000-1100 Å is presented and discussed in light of extensive CNDO-MO calculations. From calculated transition energies and the variation of these energies with respect to small changes in Ti-Cl bond length a tentative assignment of the six-band spectrum is offered. © 1969 Springer-Verlag.