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
Abstract
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 | ||||||||
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| 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 |
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| Divisions: | Division of Materials Physics | ||||||||
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| Depositing User: | Vlasta Mohaček Grošev | ||||||||
| Date Deposited: | 08 Jan 2014 09:00 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/1228 | ||||||||
| DOI: | 10.1016/S0022-2860(98)00527-4 |
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