Multi-state analysis of the OCS ultraviolet absorption including vibrational structure: Communication

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

SN - 0021-9606

VL - 136

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 13

ER -