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-Jan-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 |
Appears in Collections: | Articles |
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