Abstract
Theoretical methods of experimental design are used to establish the dependences of the vibrational frequencies of a molecule on the bond lengths and force constants. On the example of the benzene molecule, the effect of each parameter on the examined spectral characteristics is vividly demonstrated for a wide range of variation of the examined parameter, which obviates the necessity for a conventional solution of the spectral problem of estimating the vibrational frequencies of the related molecules with the use of computer programs.
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Burova, T.G., Zhelezovskii, B.E., Kozyrev, A.P. et al. Application of the Theoretical Methods of Experimental Design to a Solution of Problems in Moleculer Spectroscopy. Russian Physics Journal 46, 39–42 (2003). https://doi.org/10.1023/A:1024096518464
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DOI: https://doi.org/10.1023/A:1024096518464