Clikeman Tyler T, Deng Shihu H M, Popov Alexey A, Wang Xue-Bin, Strauss Steven H, Boltalina Olga V
Department of Chemistry, Colorado State University, Fort Collins, CO 80523, USA.
Phys Chem Chem Phys. 2015 Jan 7;17(1):551-6. doi: 10.1039/c4cp04287e.
The electron affinities of C70 derivatives with trifluoromethyl, methyl and cyano groups were studied experimentally and theoretically using low-temperature photoelectron spectroscopy (LT PES) and density functional theory (DFT). The electronic effects of these functional groups were determined and found to be highly dependent on the addition patterns. Substitution of CF3 for CN for the same addition pattern increases the experimental electron affinity by 70 meV per substitution. The synthesis of a new fullerene derivative, C70(CF3)10(CN)2, is reported for the first time.
利用低温光电子能谱（LT PES）和密度泛函理论（DFT），对含三氟甲基、甲基和氰基的C70衍生物的电子亲和势进行了实验和理论研究。确定了这些官能团的电子效应，发现其高度依赖于加成模式。对于相同的加成模式，用CF3取代CN，每取代一次实验电子亲和势增加70 meV。首次报道了一种新型富勒烯衍生物C70(CF3)10(CN)2的合成。
