Multi-state analysis of the OCS ultraviolet absorption including vibrational structure: Communication
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Multi-state analysis of the OCS ultraviolet absorption including vibrational structure : Communication. / Schmidt, Johan Albrecht; Johnson, Matthew Stanley; McBane, G.C.; Schinke, R.
I: Journal of Chemical Physics, Bind 136, Nr. 13, 2012.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - Multi-state analysis of the OCS ultraviolet absorption including vibrational structure
T2 - Communication
AU - Schmidt, Johan Albrecht
AU - Johnson, Matthew Stanley
AU - McBane, G.C.
AU - Schinke, R.
N1 - 131101
PY - 2012
Y1 - 2012
N2 - The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown that the vibrational structures in the center of the band are due to excitation of the 2 (3)A'' triplet state, whereas the structures at very low energies are caused by bending excitation in the potential wells of states 2 (1)A' and 1 (1)A''.
AB - The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown that the vibrational structures in the center of the band are due to excitation of the 2 (3)A'' triplet state, whereas the structures at very low energies are caused by bending excitation in the potential wells of states 2 (1)A' and 1 (1)A''.
U2 - 10.1063/1.3701699
DO - 10.1063/1.3701699
M3 - Journal article
C2 - 22482532
VL - 136
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
SN - 0021-9606
IS - 13
ER -
ID: 45643015