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摘要
The potential surfaces of (2 pi + 2 pi) cyclization of bis(3-thioxo-1-propenyl) sulfide in the S-0, T-1, and S-1 states were studied using quantum-chemical methods of molecular simulation. In the S-0 and S-1 states, the cyclization yields a thiabicyclic structure. In the T-1 state, three cyclization pathways yielding thiabicyclic, thiirane, or thiophene structure are possible.
- 出版日期2007-11
