High vibrational state energy redistribution in two deuterated cyclopentenes

Citation
L. Lespade et al., High vibrational state energy redistribution in two deuterated cyclopentenes, J PHYS CH A, 104(44), 2000, pp. 9880-9891
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
44
Year of publication
2000
Pages
9880 - 9891
Database
ISI
SICI code
1089-5639(20001109)104:44<9880:HVSERI>2.0.ZU;2-N
Abstract
The high CH bond stretching vibrational states spectra (from Delta nu = 1 t o 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 simultaneousl y with a model Hamiltonian expressed in internal curvilinear coordinates. B ecause of the size of the molecules, only the CH2 or CHD chromophore is con sidered in the calculations (two bond stretches and five angle deformations ). The results show a reasonable agreement between the experimental and cal culated spectra for the two molecules with the use of the same anharmonic p otential.