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Low temperature Raman study of bis(trimethylsilyl)acetylene

Mohaček Grošev, Vlasta; Furić, Krešimir (2007) Low temperature Raman study of bis(trimethylsilyl)acetylene. Journal of Molecular Structure, 834 (SI). pp. 270-275. ISSN 0022-2860

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Low temperature Raman spectroscopy was applied in study of bis(trimethylsilyl)acetylene (BTMSA), a known catalyst with very low barrier for the internal rotation of methyl groups - less than 10 cal/mole (Sipachev et al. J. Mol. Struct. 523 (2000) 1.). Since crystals consisting of flexible molecules often show polymorphism, it was of interest to find out if it is the case of BTMSA. Phonon Raman spectra recorded from 10 K to 323 K were in complete agreement with previously determined crystal structure: for space group P21/c with Z = 2 six phonons are expected and six are observed below 100 cm-1. BTMSA crystallizes in trans confromation, also the most stable one in gas phase. All observed bands could be attributed to crystal splitting of molecular g modes of D3d symmetry into Ag and Bg modes of the point group C2h of the crystal.

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, 834, SI, May 2007. DOI: 10.1016/j.molstruc.2006.10.056
Uncontrolled Keywords: Raman; bis(trimethylsilyl)acetylene; methyl group; vibrations; phonons; crystal; internal-rotation; phase-transitions; acetylene; molecules; spectra; crystal; NMR
Subjects: NATURAL SCIENCES > Chemistry
NATURAL SCIENCES > Chemistry > Physical Chemistry
Divisions: Division of Materials Physics
Project titleProject leaderProject codeProject type
Dinamika hidratacije šećeraVlasta Mohaček Grošev0098019MZOS
Fizika i primjena nanostrukturaKrešimir Furić0098022MZOS
Depositing User: Vlasta Mohaček Grošev
Date Deposited: 08 Jan 2014 10:42
DOI: 10.1016/j.molstruc.2006.10.056

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