引用本文:
Hai Tao YU, Ming Xia LI, Yu Juan CHI, Fu Long YUANG, Hong Gang FU, Jia Zhong SUN. Two Novel Isomers of HPS3 System[J]. Chinese Chemical Letters,
2003, 14(8): 860-862.
Citation: Hai Tao YU, Ming Xia LI, Yu Juan CHI, Fu Long YUANG, Hong Gang FU, Jia Zhong SUN. Two Novel Isomers of HPS3 System[J]. Chinese Chemical Letters, 2003, 14(8): 860-862.

Citation: Hai Tao YU, Ming Xia LI, Yu Juan CHI, Fu Long YUANG, Hong Gang FU, Jia Zhong SUN. Two Novel Isomers of HPS3 System[J]. Chinese Chemical Letters, 2003, 14(8): 860-862.

Two Novel Isomers of HPS3 System
摘要:
Two new isomers of HPS3 system, HP(S)S2 and HSSPS, are predicted by means of B3LYP method with 6-311++G(3df,3pd) basis set. The two isomers can isomerize into thermodynamically the most stable species HSPS2, which have been experimentally identified, with relatively higher reaction barriers. In view of their higher thermodynamical and kinetic stability and the experimental observation for HP(O)O2 and HOOPO in previous study, we can reasonably believe that the two species can be spectrosymmetrically characterized in future experiments.
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关键词:
- HPS3 system
- / stability
- / isomer
- / isomerization
English
Two Novel Isomers of HPS3 System
Abstract:
Two new isomers of HPS3 system, HP(S)S2 and HSSPS, are predicted by means of B3LYP method with 6-311++G(3df,3pd) basis set. The two isomers can isomerize into thermodynamically the most stable species HSPS2, which have been experimentally identified, with relatively higher reaction barriers. In view of their higher thermodynamical and kinetic stability and the experimental observation for HP(O)O2 and HOOPO in previous study, we can reasonably believe that the two species can be spectrosymmetrically characterized in future experiments.
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Key words:
- HPS3 system
- / stability
- / isomer
- / isomerization

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