HIGH-RESOLUTION INFRARED-SPECTRUM OF THE NU(1) AND NU(3) BANDS OF DICHLORINE MONOXIDE, CL2O

The v(1) (symmetric stretch) and v(3) (asymmetric stretch) fundamental bands of the semistable molecule ClOCl have been recorded and analyze d. This is the first high-resolution infrared study of dichlorine mono xide. The spectrum, which occurs in the 600 to 700 cm(-1) region, is v ery dense, and its assignment was greatly aided by the results of prev ious microwave studies of the ground and excited vibrational states. A bout 5400 transitions belonging to the two most abundant isotopic form s, (ClOCl)-Cl-35-O-16-Cl-35 and (ClOCl)-Cl-35-O-16-Cl-37, were assigne d and fitted. For each isotope, the v(1) and v(3) bands were analyzed simultaneously in order to account for the Coriolis interaction which couples these vibrations. The band origins for the (ClOCl)-Cl-35-O-16- Cl-35 isotope were determined to be v(1) = 641.9694(1) cm(-1) and V-3 = 686.5936(1) cm(-1). The Coriolis interaction parameter was determine d to be G(c) = 0.21087(2) cm(-1), which corresponds to xi(13)(C) = 0.9 28. (C) 1996 Academic Press, Inc.