Mass-Spectrometric Study and Quantum Chemical Calculations of L-Serine

Liquid Crystals and their Application
Russian Journal

Zhidkie kristally i ikh prakticheskoe ispol'zovanie

Жидкие кристаллы и их практическое использование

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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2010, 4, 30—37.

Mass-Spectrometric Study and Quantum Chemical Calculations of L-Serine

V. G. Badelin¹, G. V. Girichev², V. V. Tyunina², A. V. Krasnov²

Author affiliations
¹Institute of Solution Chemistry, Russian Academy of Sciences
153045 Ivanovo, Akademicheskaya Str., 1
E-mail: vgb@isc-ras.ru
²Ivanovo State University of Chemistry and Technology
153460 Ivanovo, Av. F. Engel’s, 10

Abstract
The process of sublimation of L-serine hydroxyl amino acid was investigated by mass-spectrometry. The range of temperatures corresponding to vaporization without decomposition was determined. The value of sublimation enthalpy was obtained for the first time. The calculation of intermolecular H-bond energy was carried out. The conformational search was realized. Geometric parameters were defined more by quantum chemical calculations.

Keywords: sublimation, enthalpy of sublimation, L-serine, energy of intermolecular H-bond, conformer, geometric parameters, quantum chemical calculations

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