Determination of conformational composition of proline in the gas phase

Galina N. Ten; Natalia E. Shcherbakova

doi:10.1117/12.2564071

9 April 2020 Determination of conformational composition of proline in the gas phase

Galina N. Ten, Natalia E. Shcherbakova

Proceedings Volume 11458, Saratov Fall Meeting 2019: Laser Physics, Photonic Technologies, and Molecular Modeling; 114580U (2020) https://doi.org/10.1117/12.2564071
Event: Saratov Fall Meeting 2019: VII International Symposium on Optics and Biophotonics, 2019, Saratov, Russian Federation

Abstract

The calculation and interpretation of the IR of three Proline (Pro) conformers were performed. It is shown that the vibrational spectrum of Pro in the gas phase is a superposition of the vibrational spectra of conformers Pro 1 (60%) and Pro 2 (40%). The calculated total IR spectrum is in good agreement with the experimental Pro spectrum recorded at 520 K.

Citation Download Citation

Galina N. Ten and Natalia E. Shcherbakova "Determination of conformational composition of proline in the gas phase", Proc. SPIE 11458, Saratov Fall Meeting 2019: Laser Physics, Photonic Technologies, and Molecular Modeling, 114580U (9 April 2020); https://doi.org/10.1117/12.2564071

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