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dc.contributor.authorDai, Yulanen_US
dc.contributor.authorGuo, Meiyuanen_US
dc.contributor.authorPeng, Jingdongen_US
dc.contributor.authorShen, Weien_US
dc.contributor.authorLi, Mingen_US
dc.contributor.authorHe, Rongxingen_US
dc.contributor.authorZhu, Chaoyuanen_US
dc.contributor.authorLin, Sheng Hsienen_US
dc.date.accessioned2014-12-08T15:29:11Z-
dc.date.available2014-12-08T15:29:11Z-
dc.date.issued2013-01-29en_US
dc.identifier.issn0009-2614en_US
dc.identifier.urihttp://dx.doi.org/10.1016/j.cplett.2012.11.061en_US
dc.identifier.urihttp://hdl.handle.net/11536/21031-
dc.description.abstractIn 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.en_US
dc.language.isoen_USen_US
dc.titleNoncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazolineen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/j.cplett.2012.11.061en_US
dc.identifier.journalCHEMICAL PHYSICS LETTERSen_US
dc.citation.volume556en_US
dc.citation.issueen_US
dc.citation.spage230en_US
dc.citation.epage236en_US
dc.contributor.department應用化學系分子科學碩博班zh_TW
dc.contributor.departmentInstitute of Molecular scienceen_US
dc.identifier.wosnumberWOS:000313644100044-
dc.citation.woscount1-
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