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Synthesis, Characterization and Theoretical Calculation of the Fulleropyrrolidines Containing Triphenylamine
  • ISSN号:1001-604X
  • 期刊名称:《中国化学:英文版》
  • 时间:0
  • 分类:O626.13[理学—有机化学;理学—化学] O635.1[理学—高分子化学;理学—化学]
  • 作者机构:[1]Institute of Functional Molecule, Faculty of Chemistry, 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 and 20471020).
中文摘要:

N-Methyl-2-(4-N, N-diphenylaminophenyl ) fulleropyrrolidine 和 N-methyl-2-(4-di-p-tolylaminophenyl )fulleropyrro- lidine 在微波照耀下面经由 1,3-dipolar cycloaddition 反应被综合。分子的结构被 MS 识别并且描绘,紫外力,英尺红外, 1H NMR 和荧光系列。到 triphenylamine 一半的从 C60 一半的 Photoinduced intramolecular 电子转移过程被毫微秒激光闪光光分解作用学习了。优化结构和边疆的分发为 C60-TPA 的分子的 orbitals 被在 B3LYP/6-31G (d) 使用 DFT 方法获得水平。结果显示 intramolecular photoinduced 电子转移能发生在这些混合物,它在对短暂吸收系列在极的溶剂试验性地观察了的毫微秒的优秀同意。复合 C60-TPA 的电子光谱被 ZINDO 方法根据优化 geometrics 学习,它与试验性的价值实质上一致。

英文摘要:

N-Methyl-2-(4-N,N-diphenylaminophenyl)fulleropyrrolidine and N-methyl-2-(4-di-p-tolylaminophenyl)fulleropyrrolidine were synthesized via the 1,3-dipolar cycloaddition reactions under microwave irradiation. The molecular structures were identified and characterized by MS, UV-Vis, FT-IR, ^1H NMR and fluorescence spectra. Photoinduced intramolecular electron transfer process from C60 moiety to triphenylamine moiety have been studied by nanosecond laser flash photolysis. The optimized structure and the distribution of the frontier molecular orbitals for C60-TPA were obtained by using DFT method at B3LYP/6-31G(d) level. The results indicated that the intramolecular photoinduced electron transfer could occur in these compounds, which were in excellent agreement with the nanosecond transient absorption spectra observed experimentally in polar solvent. The electronic spectrum of the compound C60-TPA was studied by ZINDO method on the basis of the optimized geometrics, which was essentially consistent with experimental values.

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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