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Screening and the quantitative pi-model description of the optical spectra and polarizations of phenyl based oligomers

Abstract:
The screening and the quantitative π-model description of the optical spectra and polarizations of phenyl based oligomers were discussed. The complete neglect of differential overlap (CNDO) model was presented, which is able to predict the energies and symmetries of all the observed optical transitions of benzene, biphenyl and trans-stilbene. The screening and the ordering of dipole allowed transitions was accounted within a π electron only model by using a dieletric constant and an appropriate parameter renormalization.
Publication status:
Published

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Publisher copy:
10.1063/1.1489994

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
JOURNAL OF CHEMICAL PHYSICS
Volume:
117
Issue:
8
Pages:
3570-3582
Publication date:
2002-08-22
DOI:
ISSN:
0021-9606
URN:
uuid:b724adfd-e962-4d2f-a108-c4f220004f5f
Source identifiers:
38375
Local pid:
pubs:38375
Language:
English

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