Crystal Growth & Design
Crystal Growth & Design
5 years ago

Symmetry Influence on the Rotation of Molecules in Crystals

Symmetry Influence on the Rotation of Molecules in Crystals
Daut R. Islamov, Konstantin A. Lyssenko, Ivan V. Fedyanin, Nikita Yu. Serov, Valery G. Shtyrlin
Rotational mobility of molecules in crystals is affected by the symmetry of their surroundings. Three possible cases were considered for the location of molecules with respect to the crystallographic symmetry elements. The rotation barrier heights at the location of molecules in cases I and III are lower than in case II that was experimentally confirmed and conceptually explained.

Publisher URL: http://dx.doi.org/10.1021/acs.cgd.7b00588

DOI: 10.1021/acs.cgd.7b00588

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