Infrared intensities: cyclobutene. A normal-coordinate analysis and comparison with cyclopropene
摘要:
The infrared and Raman spectra of cyclobutene and of its 1,2-d2 and 3,3,4,4-d4 isotopomers were determined, and the intensities of the infrared bands were measured. A new vibrational assignment was made with the help of the spectrum calculated using the 6-31G* basis set. A normal-coordinate analysis was carried out, and the infrared intensities were converted to atomic polar tensors and to dipole moment derivatives with respect to symmetry coordinates. The results of this investigation are compared with similar data obtained previously for cyclopropene and with corresponding data for cyclopropane, ethylene, and propane.