Department of Chemistry, The University of Burdwan, Golapbag, Burdwan, West Bengal, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 May;78(5):1364-75. doi: 10.1016/j.saa.2011.01.011. Epub 2011 Mar 1.
The present paper reports the photophysical investigations on supramolecular interaction of a phthalocyanine derivative, namely, 2,9,16,23-tetra-tert-butyl-29H,31H-Pc (1) with C(60) and C(70) in toluene. The binding constants of the C(60) and C(70) complexes of 1 are estimated to be 27,360 and 25,205 dm(3), respectively. Transient absorption measurements in the visible region establishes that energy transfer from C60T (and C70T) to 1 occurs predominantly in toluene which is subsequently confirmed by the consecutive appearance of the triplet states of 1. Quantum chemical calculations at DFT level of theory explore the geometry and electronic structure of the supramolecules and testify the significant redistribution of charge between fullerenes and 1.
本文报道了酞菁衍生物 2,9,16,23-四-叔丁基-29H,31H-酞菁（1）与 C（60）和 C（70）在甲苯中超分子相互作用的光物理研究。1 与 C（60）和 C（70）配合物的结合常数分别估计为 27360 和 25205 dm（3）。在可见光区的瞬态吸收测量表明，能量主要从 C60T（和 C70T）转移到 1，这随后通过 1 的三重态的连续出现得到证实。在 DFT 理论水平的量子化学计算探索了超分子的几何形状和电子结构，并证明了在富勒烯和 1 之间存在显著的电荷重新分布。
