Abstract
We report the effect of solvent on the vibrational frequencies of a series of substituted acetaldehydes, CH2RCHO (R= F, CI, Br, CN). The computations have been performed with the semiempincal program package GEOMOS, using the PM3 method for both the isolated and solvated species. The shifts on the solvent sensitive frequencies have been correlated with the effects of the bulk property of the environment.
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© 1993 Springer Science+Business Media Dordrecht
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Varnali, T., Aviyente, V., Terryn, B., Ruiz-Lopez, M.F. (1993). Solvent Effect on Vibrational Frequencies of Substituted Acetaldehydes. In: Fausto, R. (eds) Recent Experimental and Computational Advances in Molecular Spectroscopy. NATO ASI Series, vol 406. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1974-0_10
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DOI: https://doi.org/10.1007/978-94-011-1974-0_10
Publisher Name: Springer, Dordrecht
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