화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.2, 865-875, 2001
Spectral assignment of dual conformers of 1,2,3,6,7,8-hexahydropyrene in the supersonic jet
The laser-induced fluorescence excitation (FE) spectra of 1,2,3,6,7,8-hexahydropyrene has been observed in jet-cooled condition. The FE spectrum show the existence of interconvertible conformers, chair and boat, with 0-0 bands 12 cm(-1) apart. On the basis of semiempirical calculations and single vibronic level luminescence, the longest wavelength band at 30 653 cm(-1) has been ascribed to chair conformer and the one at 30 665 cm(-1) to the boat conformer. The low-frequency vibronic bands have been tentatively assigned. The lifetimes of low-frequency vibronic levels follow the trend reported by Jacobson [J. Chem. Phys. 87, 269 (1987)] for naphthalene monoderivatives, namely, they fluctuate at low excess energies, but merge and decrease steadily at high energies of excitation.