Infrared and electronic spectra of matrix-isolated chromium(V) trichloride oxide

Abstract

This paper describes the characterisation of molecular CrOCl₃ by i.r., u.v.–visible, mass, and e.s.r. spectroscopy. In particular, argon-matrix spectra yield i.r. stretching fundamentals at 1 018.0, 462.0, and 410.0 cm^–1 for the most abundant species ⁵²CrO³⁵Cl₃(C_3v). A vibrational analysis for the remaining prominent isotopomers confirms this assignment, and gives an estimate of ca. 105° for the ClCrCl angle. The lowest-energy d–d transition in the corresponding u.v.–visible spectrum is observed at 12 970 cm^–1, and the intense colour of CrOCl₃ arises principally from charge-transfer bands at 40 816, 31 250, 27 770 (sh), and 22 123 cm^–1.