Method for assigning absorption bands in IR spectra of polyatomic molecules with respect to internal vibrational coordinates |
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| Authors: | Kh. Sh. Abdulov |
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| Affiliation: | (1) S. U. Umarov Physicotechnical Institute, Academy of Sciences of the Republic of Tajikistan, 299/1 ul. Aini, Dushanbe, 734063 |
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| Abstract: | A method is proposed for assigning absorption bands in IR spectra of polyatomic molecules. An algorithm is developed and a Fortran program is written based on this method. The method is illustrated for the example of the toluene molecule. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 2, pp. 169–173, March–April, 2007. |
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| Keywords: | IR spectrum intensity polyatomic molecule normal vibrations assignment absorption band toluene |
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