| Combined Transient Spectra and Semiempirical Calculation of [60]Fullerenes Attached with Piperidinodithiocarboxylate and 7-Chloro-phenazine |
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| 作者姓名： | 曾和平 杨艳丽 文丽君 |
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| 作者单位： | [1]Institute of Functional Molecules, South China University of Technology, Guangzhou, Guangdong 510641, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China （Nos. 20231020, 20471020）. |
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| 摘 要： | 60]Fullerenes attached with piperidinodithiocarboxylate dyad （1） and 7-chloro-1,2,3,4-tetrahydrophenazine （2） were efficiently synthesized through Diels-Atder cycloaddition with dienes. The physical properties of the triplet states of these compounds, in which strong electron acceptor moieties were covalently attached to C60 cores, were investigated by nanosecond laser flash photolysis. The excited triplet states in benzonitrite have been evaluated by observing the transient absorption bands in the near-IR region. The HOMO and LUMO were calculated by semiempirical methods AM1, which could predict the intramolecular photoinduced electron transfer in 1 and 2, and the nanosecond transient absorption spectra observed experimentally in solution were in excellent agreement with the calculated ones.
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| 关 键 词： | 瞬态光谱 半经验计算 碳60球壳状分子 7-氯-吩嗪 哌啶二硫代羧酸盐 |
| 收稿时间： | December 22,2004 |
| 修稿时间： | December 22,2004 |
Combined Transient Spectra and Semiempirical Calculation of [60]Fullerenes Attached with Piperidinodithiocarboxylate and 7-Chloro-phenazine |
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| Ceng HePing;Yang YanLi;Wen LiJun.Combined Transient Spectra and Semiempirical Calculation of [60]Fullerenes Attached with Piperidinodithiocarboxylate and 7-Chloro-phenazine[J].Chinese Journal of Chemistry,2005,23(8):1109-1112. |
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| Authors: | Ceng HePing;Yang YanLi;Wen LiJun |
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| Abstract: | 60]Fullerenes attached with piperidinodithiocarboxylate dyad ( 1 ) and 7‐chloro‐1,2,3,4‐tetrahydrophenazine ( 2 ) were efficiently synthesized through Diels‐Alder cycloaddition with dienes. The physical properties of the triplet states of these compounds, in which strong electron acceptor moieties were covalently attached to C60 cores, were investigated by nanosecond laser flash photolysis. The excited triplet states in benzonitrile have been evaluated by observing the transient absorption bands in the near‐IR region. The HOMO and LUMO were calculated by semiempirical methods AM1, which could predict the intramolecular photoinduced electron transfer in 1 and 2 , and the nanosecond transient absorption spectra observed experimentally in solution were in excellent agreement with the calculated ones. |
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| Keywords: | fullerene computational chemistry transient spectra |
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