Study of singlet-triplet coupling in glyoxal by level anticrossing spectroscopy. VII. Complete assignment of the 00, 81, 6171 and 41 anticrossing spectra |
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| Affiliation: | 1. Department of Physics and Astronomy, University of Hawai''i, Honolulu, HI 96822, USA;2. Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing, 100190, China;1. School of Fundamental Physics and Mathematical Sciences, Hangzhou Institute for Advanced Study, UCAS, Hangzhou 310024, China;2. University of Chinese Academy of Sciences, 100190 Beijing, China;3. Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China;1. School of Physical Science and Technology, ShanghaiTech University, Shanghai 201210, China;2. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;3. University of the Chinese Academy of Sciences, Beijing 100080, China;4. Key Laboratory of Nuclear Physics and Ion-beam Application (MOE), Institute of Modern Physics, Fudan University, Shanghai 200433, China;5. Shanghai Research Center for Theoretical Nuclear Physics, NSFC and Fudan University, Shanghai 200438, China |
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| Abstract: | In paper VI of this series, we have made the statistical analysis of the singlet-triplet coupling matrix elements for ten NS = 0 singlet vibrational levels of glyoxal, without determining the triplet quantum numbers. In this paper we present the complete assignment (triplet rotational quantum numbers and vibrational symmetry) of each anticrossing observed from four singlet vibrational levels: 00, 81, 6171 and 41 (which give respectively 36, 76, 155 and 145 anticrossings by 0 to 7.5 T scans). Therefore we determine the zero-field energy origin of most of the triplet vibrational levels which are located within 7 cm−1 of the four singlet levels studied. Two kinds of selection rules are found: the first stemming from direct vibronic spin-orbit interactions and the second from indirect ones (involving an intermediate triplet state). About half of the anticrossings are due to direct vibronic spin-orbit interactions, the mean value of their matrix elements is more than ten times larger than indirect matrix elements and thus are dominant in ϱ〈Vst〉. In conclusion, we confirm that ISC in glyoxal is governed by direct vibronic spin-orbit interactions. |
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