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Utilization of a PPP method to study the structure and colour of aromatics having symmetrically substituted phenylethynyl groups

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Indexed by:期刊论文

Date of Publication:2004-09-01

Journal:DYES AND PIGMENTS

Included Journals:Scopus、SCIE、EI

Volume:62

Issue:3

Page Number:299-304

ISSN No.:0143-7208

Key Words:PPP molecular orbital method; chemiluminescence; phenylethynyl groups

Abstract:The electronic absorption and fluorescence spectral data of a series of chemiluminescence fluorophores comprising of poly-aromatic-hydrocarbons symmetrically substituted by phenylethynyl groups were calculated using the PPP molecular orbital method. Optimal agreement between experimental and calculated results was achieved by adopting a generalized, empirically derived set of parameters. (C) 2004 Elsevier Ltd. All rights reserved.

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