A Relative Study on Two-photon Absorption Properties of C_(60) and C_(70)  

作　　者：周新 任爱民 封继康 刘孝娟 

机构地区：[1]State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130023, China [2]State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130023, China College of Chemistry, Jilin University, Changchun, Jilin 130023, China

出　　处：《Chinese Journal of Chemistry》2004年第7期653-657,共5页中国化学（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Nos. 20273023; 90101026) and the Key Laboratory for Supramolecular Structure and Material of Jilin University.

摘　　要：We have theoretically investigated the one- and two-photon absorption properties of C60 and C70 using the ZINDO method. From the results it is suggested that the one-photon absorption spectra are in agreement with the experimental observations. It is found that the maximum TPA cross section of C70 is more than twice that of C60, which is consistent with the experimental results. A notable point is that the TPA process of C60 is different from that of C70 as well as other ordinary conjugated molecules.We have theoretically investigated the one- and two-photon absorption properties of C60 and C70 using the ZINDO method. From the results it is suggested that the one-photon absorption spectra are in agreement with the experimental observations. It is found that the maximum TPA cross section of C70 is more than twice that of C60, which is consistent with the experimental results. A notable point is that the TPA process of C60 is different from that of C70 as well as other ordinary conjugated molecules.

关 键 词：two-photon absorption ZINDO-SOS C60 C70 

分 类 号：O647.3[理学—物理化学]