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Infrared spectra and theoretical calculations of BS2 and BS2-:Strong Pseudo Jahn-Teller effect
王雪峰
Author NameAffiliationE-mail
王雪峰 同济大学化学系 xfwang@tongji.edu.cn 
Abstract:
Laser ablated boron atoms have been reacted with hydrogen sulfide and the reaction products condensed with argon at 4 K, which gave BS2, BS2-, HSBS and HBS molecules. Reagent isotopic substitution (H2S, H234S, D2S, 10B, 11B) and variation of boron and hydrogen sulfide concentrations have been used to identify the major products. Both BS2- and BS2 molecule were identified as linear molecules with no significant difference in the structure parameters, but the B-S anti-symmetric stretching vibration of BS2 is significantly lower than that of BS2, which is ascribed to pseudo Jahn-Teller effect. Theoretical calculation was employed to have an insight into the interaction nature of the bonds in the corresponding products.
Key words:  matrix isolation, pseudo Jahn-Teller effect, multicenter bond
FundProject:
Infrared spectra and theoretical calculations of BS2 and BS2-:Strong Pseudo Jahn-Teller effect
王雪峰
摘要:
Laser ablated boron atoms have been reacted with hydrogen sulfide and the reaction products condensed with argon at 4 K, which gave BS2, BS2-, HSBS and HBS molecules. Reagent isotopic substitution (H2S, H234S, D2S, 10B, 11B) and variation of boron and hydrogen sulfide concentrations have been used to identify the major products. Both BS2- and BS2 molecule were identified as linear molecules with no significant difference in the structure parameters, but the B-S anti-symmetric stretching vibration of BS2 is significantly lower than that of BS2, which is ascribed to pseudo Jahn-Teller effect. Theoretical calculation was employed to have an insight into the interaction nature of the bonds in the corresponding products.
关键词:  matrix isolation, pseudo Jahn-Teller effect, multicenter bond
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