IR spectrum of arginine: experimental research and molecular modeling

S. A. Kutsenko; M. A. Kornaukhova

doi:10.1117/12.2523255

3 June 2019 IR spectrum of arginine: experimental research and molecular modeling

S. A. Kutsenko, M. A. Kornaukhova

Proceedings Volume 11066, Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling; 110661A (2019) https://doi.org/10.1117/12.2523255
Event: International Symposium on Optics and Biophotonics VI: Saratov Fall Meeting 2018, 2018, Saratov, Russian Federation

Abstract

Fourier spectroscopy was used to experimental research the infrared (IR) spectrum of arginine in petroleum jelly. The structure and spectra of the L and D -arginine molecule have been modeling by Hartree-Fock method. The vibrational IR spectra of the zwitterionic forms of L, D-arginine were interpreted by analyzing the vibration shape with a certain frequency and calculated frequencies of normal modes, electro-optical parameters, force constants. Molecular configurations corresponding to thermodynamically stable states of arginine isomers have been determined.

Citation Download Citation

S. A. Kutsenko and M. A. Kornaukhova "IR spectrum of arginine: experimental research and molecular modeling", Proc. SPIE 11066, Saratov Fall Meeting 2018: Laser Physics, Photonic Technologies, and Molecular Modeling, 110661A (3 June 2019); https://doi.org/10.1117/12.2523255

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