TY - JOUR
T1 - Noncovalent interaction and its influence on excited-state behavior
T2 - A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline
AU - Dai, Yulan
AU - Guo, Meiyuan
AU - Peng, Jingdong
AU - Shen, Wei
AU - Li, Ming
AU - He, Rongxing
AU - Zhu, Chaoyuan
AU - Lin, Sheng Hsien
PY - 2013/1/29
Y1 - 2013/1/29
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84872297528&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2012.11.061
DO - 10.1016/j.cplett.2012.11.061
M3 - Article
AN - SCOPUS:84872297528
VL - 556
SP - 230
EP - 236
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -