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Infrared Spectra and Theoretical Calculations of BS2 and BS2-: Strong Pseudo Jahn-Teller Effect
Jie Zhao,Wen-jie Yu,Teng-fei Huang,Xue-feng Wang*
Author NameAffiliationE-mail
Jie Zhao School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China  
Wen-jie Yu School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China  
Teng-fei Huang School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China  
Xue-feng Wang* School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China 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 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:This work was supported by the National Natural Science Foundation of China (No.21373152).
BS2和BS2-分子的红外光谱和Jahn-Teller效应
赵杰,俞文杰,黄腾飞,王雪峰*
摘要:
关键词:  
DOI:10.1063/1674-0068/30/cjcp1711201
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