Lukina Ekaterina A, Popov Alexander A, Uvarov Mikhail N, Kulik Leonid V
Voevodsky Institute of Chemical Kinetics and Combustion of the Siberian Branch of the Russian Academy of Sciences , Institutskaya 3, Novosibirsk 630090, Russia.
Novosibirsk State University , Pirogova 2, Novosibirsk 630090, Russia.
J Phys Chem B. 2015 Oct 29;119(43):13543-8. doi: 10.1021/acs.jpcb.5b02142. Epub 2015 Apr 22.
The light-induced charge-transfer (CT) state in the composite of the conductive polymer poly(3-hexylthiophene) (P3HT) and the fullerene derivative [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) has been studied by electron spin echo (ESE) spectroscopy. The out-of-phase ESE signal corresponding to the spin-correlated radical pair P3HT(+)/PCBM(-) has been observed in this composite material. The time-domain ESE shape for different delays between the laser flash and the microwave pulse sequence has been analyzed. In order to explain the evolution of the out-of-phase ESE signal as a function of the delay between the microwave pulses, a model of the CT state is proposed. The hole is assumed to be delocalized on the P3HT chain over several thiophene subunits, while the point-dipole approximation is used to describe the interaction with the electron on PCBM. The distribution of distances between the positive and negative charges in the CT state has been evaluated.
通过电子自旋回波（ESE）光谱研究了导电聚合物聚（3-己基噻吩）（P3HT）与富勒烯衍生物[6,6]-苯基-C61-丁酸甲酯（PCBM）复合材料中的光诱导电荷转移（CT）态。在这种复合材料中观察到了与自旋相关自由基对P3HT(+)/PCBM(-)相对应的异相ESE信号。分析了激光闪光与微波脉冲序列之间不同延迟下的时域ESE形状。为了解释异相ESE信号随微波脉冲之间延迟的变化，提出了一种CT态模型。假设空穴在P3HT链上的几个噻吩亚基上离域，同时使用点偶极近似来描述与PCBM上电子的相互作用。评估了CT态中正电荷和负电荷之间的距离分布。
