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

Johan A. Schmidt | Zendy; Matthew S. Johnson | Zendy; George C. McBane | Zendy; Reinhard Schinke | Zendy

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

Author(s) -

Johan A. Schmidt,

Matthew S. Johnson,

George C. McBane,

Reinhard Schinke

Publication year - 2012

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3701699

Subject(s) - excitation , dipole , singlet state , atomic physics , chemistry , absorption (acoustics) , transition dipole moment , carbonyl sulfide , absorption band , triplet state , molecular physics , excited state , physics , optics , sulfur , organic chemistry , quantum mechanics

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''.

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