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Internal rotation dynamics of nitromethane at low temperatures

Mohaček Grošev, Vlasta; Stelzer, Franz; Jocham, Daniel (1999) Internal rotation dynamics of nitromethane at low temperatures. Journal of Molecular Structure, 476 (1-3). pp. 181-189. ISSN 0022-2860

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A detailed Raman spectroscopic study of nitromethane in the temperature interval from room temperature to 15 K was undertaken. The crystal structure was stable from 15 to 242 K. In the interval 243-244 K a new phase was observed before the transition into the liquid state took place. These observations were supported by DSC measurements which indicated the existence of an intermediate phase between the stable crystal form and the liquid phase. The activation energy for the internal rotation of the methyl group was determined by measuring the FWHM of the symmetric CH3 stretching band from 15 to 235 K. The activation energy found was 25 +/- 1 meV, which was in very good agreement with the energy difference between the ground energy level and the barrier top as determined by previous neutron and Raman scattering experiments [D. Cavagnat, J. Chim. Phys. Phys. Chim. Biol. 82(2-3) (1985) 239]. (C) 1999 Elsevier Science B.V. All rights reserved.

Item Type: Article
Additional Information: NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Molecular Structure. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Structure, 476, 1-3, February 1999. DOI: 10.1016/S0022-2860(98)00527-4
Uncontrolled Keywords: nitromethane; Raman spectroscopy; DSC; mesophase; activation energy; deuterated methyl-groups; solid nitromethane; molecular-crystals; reorientation; scattering; neutron; toluene; system
Subjects: NATURAL SCIENCES > Chemistry
NATURAL SCIENCES > Chemistry > Physical Chemistry
Divisions: Division of Materials Physics
Project titleProject leaderProject codeProject type
Raspršenje svjetla, interakcije i dinamika materijeKrešimir Furić00980303MZOS
Depositing User: Vlasta Mohaček Grošev
Date Deposited: 08 Jan 2014 09:00
DOI: 10.1016/S0022-2860(98)00527-4

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