INFRARED-SPECTROSCOPY OF 2-METHYL-2-BUTENE IN LIQUID ARGON SOLUTION AND AB-INITIO CALCULATED VIBRATIONAL FREQUENCIES

The infrared spectrum of 2-methyl-2-butene dissolved in liquid argon has been measured at 90 K. The absorption was obtained with a low-temperature cell and a Fourier transform spectrophotometer. The solubility of 2-methyl-2-butene in liquid argon was measured. Ab initio molecular orbital calculations were performed to obtain the equilibrium geometry, vibrational frequencies, and infrared intensities. The calculations were done at the Hartree-Fock level using the 6-31G(*) split-valence basis set. A normal coordinate analysis was performed using a scaled force field determined from the 6-31G(*) basis set. The potential energy distribution was also obtained.