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Combined Transient Spectra and Semiempirical Calculation of [60]Fullerenes Attached with Piperidinodithiocarboxylate and 7-Chloro-phenazine
  • ISSN号:1001-604X
  • 期刊名称:《中国化学:英文版》
  • 时间:0
  • 分类:O635.1[理学—高分子化学;理学—化学]
  • 作者机构:[1]Institute of Functional Molecules, South China University of Technology, Guangzhou, Guangdong 510641, China
  • 相关基金:Project supported by the National Natural Science Foundation of China (Nos. 20231020, 20471020).
中文摘要:

[60 ] 与 piperidinodithiocarboxylate 二(1 ) 和 7-chloro-1,2,3,4-tetrahydrophenazine (2 ) 依附的 Fullerenes 高效地与 dienes 通过一天一夜桤木的 cycloaddition 被综合。这些混合物,强壮的电子领受人一半在是的三位字节状态的物理性质 covalently 属于 C60 核心,被毫微秒激光闪光光分解作用调查。在 benzonitrile 的激动的三位字节状态被观察短暂吸收乐队在评估了近 -- 红外区域。人和 LUMO 被 semiempirical 方法 AM1 计算,它能预言在 1 和 2 的 intramolecular photoinduced 电子转移,和短暂吸收系列在答案试验性地观察了的毫微秒在对计算的优秀同意。

英文摘要:

[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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期刊信息
  • 《中国化学:英文版》
  • 主管单位:
  • 主办单位:中国化学会
  • 主编:
  • 地址:上海市枫林路354号中科院上海有机化学研究所
  • 邮编:200032
  • 邮箱:
  • 电话:021-54925243
  • 国际标准刊号:ISSN:1001-604X
  • 国内统一刊号:ISSN:31-1547/O6
  • 邮发代号:4-646
  • 获奖情况:
  • 中国期刊方阵“双高”期刊
  • 国内外数据库收录:
  • 美国化学文摘(网络版),荷兰文摘与引文数据库,美国科学引文索引(扩展库),日本日本科学技术振兴机构数据库,英国英国皇家化学学会文摘
  • 被引量:175