ICCAS OpenIR
Investigations of the molecule-structure-factors influences on the first hyperpolarizabilities of the organic molecules
Zhan, CL; Wang, DY
2001
Source PublicationACTA CHIMICA SINICA
ISSN0567-7351
Volume59Issue:2Pages:213-219
AbstractThe molecule - structure - factors influences, including the positive/negative charge influence, the conjugated st - electron number influence, the conjugated pi - atom influence, the linking influence and the donor/acceptor influence, on the beta - values have been studied. The molecule transition energy v(a) has been firstly introduced to link the above five influences. A linear function group and a net - like graph for describing the linear relationship between the beta - values and v(a) have been obtained containing all of five influences, from which one could find the key factor to influence on the beta - values and obtain desired maximum beta - value for each influence. So the graph gives out a new idea and opens a new way to design and synthesize new organic molecules with high beta - values.
KeywordStilbazolium - Like Dye Hyperpolarizability Solvatochromism Molecule - Structure - Factor Influence Linear Correlation
Indexed BySCI
Language英语
WOS IDWOS:000167632500012
PublisherSCIENCE PRESS
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77282
Collection中国科学院化学研究所
Corresponding AuthorZhan, CL
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhan, CL,Wang, DY. Investigations of the molecule-structure-factors influences on the first hyperpolarizabilities of the organic molecules[J]. ACTA CHIMICA SINICA,2001,59(2):213-219.
APA Zhan, CL,&Wang, DY.(2001).Investigations of the molecule-structure-factors influences on the first hyperpolarizabilities of the organic molecules.ACTA CHIMICA SINICA,59(2),213-219.
MLA Zhan, CL,et al."Investigations of the molecule-structure-factors influences on the first hyperpolarizabilities of the organic molecules".ACTA CHIMICA SINICA 59.2(2001):213-219.
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