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N-甲基-2-(4'-N-乙基咔唑基)-[60]富勒烯吡咯烷及其衍生物的合成,电荷分离态特征 被引量:6
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作者 王婷婷 曾和平 《化学学报》 SCIE CAS CSCD 北大核心 2005年第17期1587-1594,F0006,共9页
通过1,3-偶极环加成方法在微波照射下合成了N-甲基-2-(4'-N-乙基咔唑基)-富勒烯吡咯烷(C60-Cz)和N-甲基-2-(4'-N,N-二苯基氨基)-富勒烯吡咯烷(C60-TPA),用质谱,1HNMR,IR等对其结构进行了表征.用激光光解时间分辨瞬态谱研究了N-... 通过1,3-偶极环加成方法在微波照射下合成了N-甲基-2-(4'-N-乙基咔唑基)-富勒烯吡咯烷(C60-Cz)和N-甲基-2-(4'-N,N-二苯基氨基)-富勒烯吡咯烷(C60-TPA),用质谱,1HNMR,IR等对其结构进行了表征.用激光光解时间分辨瞬态谱研究了N-甲基-2-(4'-N-乙基咔唑基)-富勒烯吡咯烷的分子内电荷转移过程,在近红外区观测到了长寿命电荷分离态C?6-0-Cz?+的存在,其寿命为0.28μs.运用Gaussian98量子化学程序包,利用密度泛函的方法对N-甲基-2-(4'-N,N-二苯基氨基)-富勒烯吡咯烷几何构型进行了优化,并在优化基础上用ZINDO方法计算了化合物C60-TPA的电子光谱,计算结果表明,光谱吸收峰在440nm,与实验值433nm基本一致. 展开更多
关键词 富勒烯吡咯烷 瞬态谱 电荷分离态 富勒烯 N-乙基咔唑 N-甲基 吡咯烷 衍生物 GAUSSIAN 合成
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PHOTOPHYSICS STUDIES OF ORGANIC COMPOUNDS——NANOSECOND LASER PHOTOLYSIS AND TRANSIENT ABSORPTION SPECTRA STUDIES OF PYRENE-AROMATIC AMINES
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作者 虞群 陈凤启 +1 位作者 樊美公 寿涵森 《Science China Chemistry》 SCIE EI CAS 1990年第11期1290-1296,共7页
Nanosecond time-resolved transient absorption spectra of pyrene-triphenylamine, pyrenediphenylamine, pyrene-N, N-dibenzylaniline systems in various solvents have been investigated. In nonpolar solvent, pyrene-tripheny... Nanosecond time-resolved transient absorption spectra of pyrene-triphenylamine, pyrenediphenylamine, pyrene-N, N-dibenzylaniline systems in various solvents have been investigated. In nonpolar solvent, pyrene-triphenylamine exciplex and pyrene-N, N-dibenzylaniline exciplex were observed directly. In acetonitrile, the pyrene anion radical, triphenylamine and diphenylamine cation radicals were detected. On the basis of the present experimental facts, the mechanism of fluorescence quenching processes of pyrene in polar and nonpolar solvents has been established. 展开更多
关键词 nanosecond laser PHOTOLYSIS PYRENE triphenylamine DIPHENYLAMINE N N-dibenzylaniline electron transfer transient spectra EXCIPLEX ion radical
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Synthesis, Characterization and Theoretical Calculation of the Fulleropyrrolidines Containing Triphenylamine
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作者 王婷婷 曾和平 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2006年第2期224-230,共7页
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 mol... 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. 展开更多
关键词 FULLEROPYRROLIDINE nanosecond transient absorption spectra electron transfer electronic spectrum
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