Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives

CORC > 上海光学精密机械研究所 > 中国科学院上海光学精密机械研究所 > 高密度光存储技术实验室

	Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives
	Ma WB(马文波) ; Wu YQ(吴谊群) ; Gu DH(顾冬红) ; Gan FX(干福熹)
刊名	theochem-j. mol. struct.
	2006
卷号	772 期号:1-3 页码:81
关键词	two-photon absorption fluorene derivatives three-state model ZINDO/S method
ISSN号	0166-1280
中文摘要	one- and two-photon absorption properties of a series of fluorene derivatives with symmetrical charge transfer d-it-d and a-it-a structural motifs have been theoretically investigated with zindo/s method. the optimized structures and the characterization of frontier molecular orbitals were obtained by using ami calculations. two-photon absorption properties of molecules have been studied using three-state model. the calculation results have shown that fluorene-thiophene derivatives exhibit larger two-photon absorption cross-section as compared with other studied molecules. to illustrate the results, the crucial effects of thiophene ring on fluorenethiophene derivatives and the net charge changes on the pi-conjugated bridges are analyzed theoretically. (c) 2006 elsevier b.v. all rights reserved.
学科主题	光存储
收录类别	0
语种	英语
WOS记录号	WOS:000241100100010
公开日期	2009-09-22
内容类型	期刊论文
源URL	[http://ir.siom.ac.cn/handle/181231/3867]
专题	上海光学精密机械研究所_高密度光存储技术实验室
推荐引用方式 GB/T 7714	Ma WB,Wu YQ,Gu DH,et al. Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives[J]. theochem-j. mol. struct.,2006,772(1-3):81, 87.
APA	马文波,吴谊群,顾冬红,&干福熹.(2006).Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives.theochem-j. mol. struct.,772(1-3),81.
MLA	马文波,et al."Theoretical investigation on the one- and two-photon absorption properties for a series of symmetrical charge transfer fluorene-phenylene and fluorene-thiophene derivatives".theochem-j. mol. struct. 772.1-3(2006):81.