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https://dspace.ffh.bg.ac.rs/handle/123456789/1387| Title: | Ab initio investigation of the structure of the x<sup>2</sup>a′, a<sup>2</sup>a″(1<sup>2</sup>Π) spectral system of hco: Theoretical treatment of the vibronic and spin-orbit-coupling | Authors: | Perić, Miljenko Marian, C. M. Peyerimhoff, S. D. |
Issue Date: | 1-Jan-1994 | Journal: | Journal of Molecular Spectroscopy | Abstract: | An ab initio investigation of the vibronic and the spin-orbit coupling effects in the X2A′, A2A″ (1 2II) system of HCO is presented. Vibronic energies, intensity distributions within the band progressions, and spin-orbit splittings for levels of different vibronic symmetries are computed. The calculated spin-orbit constant ASO is determined to be 69 cm-1, roughly a factor of 2.5 larger than that previously assumed. With this value of ASO, agreement within 0.02 cm-1 between our theoretical and experimental fine-structure splittings of the lower vibronic levels is observed. © 1994 Academic Press, Inc. |
URI: | https://dspace.ffh.bg.ac.rs/handle/123456789/1387 | ISSN: | 0022-2852 | DOI: | 10.1006/jmsp.1994.1205 |
| Appears in Collections: | Journal Article |
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