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首页> 外文期刊>Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy >Spectrophotometric studies of complexation of [60]fullerene with series of aromatic hydrocarbon molecules containing flexible phenyl substituents
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Spectrophotometric studies of complexation of [60]fullerene with series of aromatic hydrocarbon molecules containing flexible phenyl substituents

机译：分光光度法研究[60]富勒烯与一系列含柔性苯基取代基的芳烃分子的络合

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The absorption spectra of the electron donor-acceptor complexes of [60]fullerene with five different aromatic hydrocarbon (AH) molecules containing flexible phenyl substituents have been investigated in toluene medium. An absorption band due to charge transfer (CT) transition is observed in each case in the visible region. The experimental CT transition energies are well correlated with the vertical ionization potentials of the AHs studied (through Mulliken's equation) from which we extract degrees of charge transfer, oscillator and transition dipole strengths of the CT complexes. The degrees of CT in the ground state of the complexes have been found to be very low (0.49-0.55%). The formation constants (K) for the complexes of [60]fullerene with the aromatic hydrocarbons have been determined by UV-vis spectroscopy. Both K values and PM3 calculations on [60]fullerene/AH complexes reveal that nature of substitution in the donor moiety as well as steric compatibility with the acceptor molecule govern the process of EDA complex formation. (c) 2005 Elsevier B.V. All rights reserved.
机译：在甲苯介质中研究了[60]富勒烯与五个不同的含柔性苯基取代基的芳烃（AH）分子的电子给体-受体配合物的吸收光谱。分别在可见光区域观察到由于电荷转移（CT）跃迁引起的吸收带。实验的CT跃迁能量与所研究的AHs的垂直电离势有很好的相关性（通过Mulliken方程），从中我们可以提取CT络合物的电荷转移程度，振荡器和跃迁偶极强度。已发现复合物基态的CT程度非常低（0.49-0.55％）。 [60]富勒烯与芳烃的配合物的形成常数（K）已通过紫外可见光谱法测定。 [60]富勒烯/ AH配合物的K值和PM3计算都表明，供体部分的取代性质以及与受体分子的空间相容性决定了EDA配合物的形成过程。 （c）2005 Elsevier B.V.保留所有权利。

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