Determination of conformational composition of phenylalanine in the gas phase
Galina N. Ten, Saratov State University
Natalia E. Shcherbakova, Russian Research Anti-Plague Institute "Microbe"
Abstract
The calculation and interpretation of the IR of three Phe conformers were performed. It is shown that the vibrational spectrum of Phe in the gas phase is a superposition of the vibrational spectra of conformers Phe 1 (60%) and Pro 2 (40%). The calculated total IR spectrum is in good agreement with the experimental Pro spectrum recorded at 520 K.
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Galina N. Ten
Saratov State University
Russia
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