Noncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline

Yulan Dai, Meiyuan Guo, Jingdong Peng*, Wei Shen, Ming Li, Rongxing He, Chaoyuan Zhu, Sheng Hsien Lin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

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 π-π stacking interactions play an important role in the noncovalent interactions of the TPP-DCN coaggregates. The effect of the π-π 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.

Original languageEnglish
Pages (from-to)230-236
Number of pages7
JournalChemical Physics Letters
Volume556
DOIs
StatePublished - 29 Jan 2013

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