- 作者: 丁陳漢蓀
- 作者服務機構: Department of Chemistry, Chung Cheng Institute of Technology, Ta-hsi, Tao-yuan, Taiwan, China
- 中文摘要: The electronic structures of trans- and cis-stilbene are calculated using Pariser and Parr’s semiempirical method. The resonance integrals are adjusted so as to give the best agreement with the spectroscopic data. In addition, the potential surfaces of various excited states in stilbene during its isomerization process are calculated. Our results differ significently from those of Borrell and Greenwood2) who did not realized the importance of a doubly excided singlet state to the potential surface of the ground state of stilbene. Our improved potential surfaces suggests mechanism of various radiationless leading to photoisomerization and sensitized isomerization.
- 英文摘要: --
- 中文關鍵字: --
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