The SPT Study of Solvent Effect of Ultraviolet Spectrum
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Abstract
This paper is a theoritical prediction of solvent effect of ultraviole spectrum according to the scaled panical theory (SPT). Taking the π→π* transition of ArOH, ArNO2, ArNH2 and ArCl in solvents such as H2O, MeOH, EtOH, 2-PrOH, MeCN, EtOEt, CH2Cl2 and CHCl3 as the examples, we calculated the wavenumber of the transition. By comparing with the observed value and those predicted by the Mcare theory, it is obvious that the results obtained in this paper is much better than those of Mcare's. A discussion about the model used, the structure parameters of the solutes and the contributions from each interactions are given.
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