FT Infrared Spectra of ClCN Between 1200 and 5000 cm−1 and Global Rovibrational Analysis of the Main Isotopomers

High-resolution Fourier transform spectra of ClCN in the 1200-2140 and 4000-5000 cm(-1) spectral regions have been recorded to measure the line positions for the nu(1) + 2 nu(2), 2 nu(1), 4 nu(2), nu(3) - nu(2), 2 nu(3), and nu(2) + 2 nu(3) bands and some associated hot bands. A total of 13 bands have been observed for (ClCN)-Cl-35-C-12-N-14, and 6 for (ClCN)-Cl-37-C-12-N-14. We report also the analysis of 20 new bands identified in previously studied regions (8 for (ClCN)-Cl-35-C-12-N-14, 9 for (ClCN)-Cl-37-C-12-N-14, and 1 each for (ClCN)-Cl-35-C-12-N-15, (ClCN)-Cl-37-C-13-N-14, and (ClCN)-Cl-37-C-12-N-15). A global analysis has been applied to (ClCN)-Cl-35-C-12-N-14 and (ClCN)-Cl-37-C-12-N-14 on the basis of all data (microwave, radiofrequency, and infrared) available for energies in their electronic ground state. A statistical agreement is obtained with the whole set of data and a set of 80 molecular parameters have been determined for the two isotopomers. Effective constants and their uncertainties have been calculated up to the eighth order in J(J + 1) for vibrational levels up to more than 5000 cm(-1). (C) 1995 Academic Press, Inc.