標題: Noncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline
作者: Dai, Yulan
Guo, Meiyuan
Peng, Jingdong
Shen, Wei
Li, Ming
He, Rongxing
Zhu, Chaoyuan
Lin, Sheng Hsien
應用化學系分子科學碩博班
Institute of Molecular science
公開日期: 29-一月-2013
摘要: In the present letter we investigate the noncovalent interactions in the mixed coaggregates of 1,3,5-triphenyl-2-pyrazoline (TPP) and 1,4-dicyanonaphthalene (DCN) and their influence on the excited-state properties of the TPP-DCN. The theoretical results show that the pi-pi stacking interactions play an important role in the noncovalent interactions of the TPP-DCN coaggregates. The effect of the pi-pi interactions on the excited-state properties of the TPP-DCN is also fully investigated, and the results indicate that the TPP and DCN do not form an intermolecular charge-transfer complex in the ground state, whereas they form an exciplex in the excited state. (C) 2012 Elsevier B. V. All rights reserved.
URI: http://dx.doi.org/10.1016/j.cplett.2012.11.061
http://hdl.handle.net/11536/21031
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2012.11.061
期刊: CHEMICAL PHYSICS LETTERS
Volume: 556
Issue: 
起始頁: 230
結束頁: 236
顯示於類別:期刊論文


文件中的檔案:

  1. 000313644100044.pdf