Determination of conformation composition of phenylalanine in gas phase

Galina N. Ten; Natalia E. Shcherbakova

doi:10.1117/12.2589697

4 May 2021 Determination of conformation composition of phenylalanine in gas phase

Galina N. Ten, Natalia E. Shcherbakova

Proceedings Volume 11846, Saratov Fall Meeting 2020: Laser Physics, Photonic Technologies, and Molecular Modeling; 1184610 (2021) https://doi.org/10.1117/12.2589697
Event: Saratov Fall Meeting 2020, 2020, Saratov, Russian Federation

Abstract

In order to interpret the experimental spectrum of phenylalanine measured in the gas phase at a temperature of 520 K, the vibrational spectra of three conformers of phenylalanine were calculated in the harmonic and anharmonic approximations. It was shown that the vibrational IR spectrum of phenylalanine in the gas phase is a superposition of the vibrational spectra of the conformers Phe1 (~50%), Phe2 (~35%), and Phe3 (~15%).

Citation Download Citation

Galina N. Ten and Natalia E. Shcherbakova "Determination of conformation composition of phenylalanine in gas phase", Proc. SPIE 11846, Saratov Fall Meeting 2020: Laser Physics, Photonic Technologies, and Molecular Modeling, 1184610 (4 May 2021); https://doi.org/10.1117/12.2589697

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