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Theoretical study on the structure, spectrum and third-order nonlinear optical property of cyclic dimer of zinc porphyrin containing C-60
Zhang, G; Zhou, X; Liu, Z; Feng, JK; Bo, ZS
2003-12-01
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume61Issue:12Pages:1911-1915
AbstractThe equilibrium geometry of cyclic dimer of zinc porphyrin containing C-60 has been studied by semi-empirical AMI and PM3 methods. The electronic spectrum and the third-order nonlinear polarizability of this supramolecule were examined by ZINDO-SOS method. At different external field frequencies, the range of calculated third-order nonlinear polarizability is from 48.23 x 10(-34) to 65.15 x 10(-34) esu. The supramolecule would potentially be employed as a kind of nonlinear optical material.
KeywordCyclic Dimer Of Zinc Porphyrin Containing C-60 Geometry Electronic Spectrum Third-order Nonlinear Polarizability
Indexed BySCI
Language英语
WOS IDWOS:000187533900004
PublisherSCIENCE CHINA PRESS
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/79830
Collection中国科学院化学研究所
Corresponding AuthorZhang, G
Affiliation1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
2.Jilin Univ, Dept Chem, Changchun 130023, Peoples R China
3.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, G,Zhou, X,Liu, Z,et al. Theoretical study on the structure, spectrum and third-order nonlinear optical property of cyclic dimer of zinc porphyrin containing C-60[J]. ACTA CHIMICA SINICA,2003,61(12):1911-1915.
APA Zhang, G,Zhou, X,Liu, Z,Feng, JK,&Bo, ZS.(2003).Theoretical study on the structure, spectrum and third-order nonlinear optical property of cyclic dimer of zinc porphyrin containing C-60.ACTA CHIMICA SINICA,61(12),1911-1915.
MLA Zhang, G,et al."Theoretical study on the structure, spectrum and third-order nonlinear optical property of cyclic dimer of zinc porphyrin containing C-60".ACTA CHIMICA SINICA 61.12(2003):1911-1915.
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