- Substituent effect on the UV spectra of p-disubstituted compounds XPh(CH=CHPh)nY (n=0, 1, 2)
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Three parameters, θCCex, θ CCex(XY) and Vmax,parent, are developed to express the substituent effect and the effect of the parent molecular structure of p-disubstituted compounds XPh(CH=CHPh)nY (n=0, 1, 2). The investigated result shows a good correlation between the UV absorption wavenumbers (Vmax) and the three parameters for a diverse set of title compounds, and the correlation equation can be used to predict the UV absorption energy of compounds with the mentioned structure. This approach provides a new insight for the quantitative structure-property relationship (QSPR) correlation of the UV absorption energy of p-disubstituted homologues. Copyright
- Chen, Guanfan,Cao, Chenzhong
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scheme or table
p. 776 - 782
(2011/05/05)
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