MILLIMETER-WAVE AND HIGH-RESOLUTION INFRARED-SPECTRA OF OCSE - DETERMINATION OF ITS STRUCTURE

The rotational spectrum of OCSe has been measured in the millimeterwave and submillimeterwave regions. The ground state rotational constants of 27 isotopomers have been accurately determined, r0, rs, rε{lunate}, I, rρm, rc, and re structures have been calculated and compared. The rm, structure is a bad approximation of the re structure but, on the other hand, both rρm, and rc, structures are very good approximations of the re structure, the differences being smaller than 0.001 Å. The values of the re structure are re(CO) = 1.1533 Å and re(CSe) = 1.7098 Å. Infrared spectra of natural and monoisotopic OC80Se in the ν2, 2ν2, and ν3 regions have been recorded with an effective resolution between 0.0025 and 0.007 cm-1. Rotational analyses have been performed for the cold bands and several hot bands of OC80Se with ν2, 2ν02, 2ν±22, and ν3 as lower states, and accurate band centers have been determined. © 1993 Academic Press, Inc.