화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.104, No.44, 9880-9891, 2000
High vibrational state energy redistribution in two deuterated cyclopentenes
The high CH bond stretching vibrational states spectra (from Delta nu = 1 to 6) are presented fur two isotopomers of cyclopentene: cyclopentene-1,2,3,4,4,5,5-d(7) and cyclopentene-4,4,5,5-d(4), They are analyzed simultaneously with a model Hamiltonian expressed in internal curvilinear coordinates. Because of the size of the molecules, only the CH2 or CHD chromophore is considered in the calculations (two bond stretches and five angle deformations). The results show a reasonable agreement between the experimental and calculated spectra for the two molecules with the use of the same anharmonic potential.