title: Nonadiabatic calculations of ultraviolet absorption cross section of sulfur monoxide: isotopic effects on the photodissociation reaction.
abstract: Ultraviolet absorption cross sections of the main and substituted sulfur monoxide (SO) isotopologues were calculated using R-Matrix expansion technique. Energies, transition dipole moments, and nonadiabatic coupling matrix elements were calculated at MRCI/AV6Z level. The calculated absorption cross section of (32)S(16)O was compared with experimental spectrum; the spectral feature and the absolute value of photoabsorption cross sections are in good agreement. Our calculation predicts a long lived photoexcited SO* species which causes large non-mass dependent isotopic effects depending on the excitation energy in the ultraviolet region.
authors: Department of Materials and Life Sciences, Faculty of Science & Technology, Sophia University, Chiyoda Ku, Tokyo 102-8554, Japan.
authors: Sebastian O
authors: SO
authors: Danielache
authors: Department of Materials and Life Sciences, Faculty of Science & Technology, Sophia University, Chiyoda Ku, Tokyo 102-8554, Japan.
authors: Suzuki
authors: S
authors: Tomoya
authors: P. N. Lebedev Physical Institute of Russian Academy of Science, Leninsky pr., 53, Moscow, 119991, Russia.
authors: Alexey
authors: A
authors: Kondorsky
authors: Department of Chemistry, Faculty of Science, Niigata University, Ikarashi, Niigata 950-2181, Japan.
authors: Ikuo
authors: I
authors: Tokue
authors: Department of Materials and Life Sciences, Faculty of Science & Technology, Sophia University, Chiyoda Ku, Tokyo 102-8554, Japan.
authors: Shinkoh
authors: S
authors: Nanbu