Literature DB >> 17047764

Quantitative chirality synchronization in trifluoroethanol dimers.

Tina Scharge1, Thomas Häber, Martin A Suhm.   

Abstract

2,2,2-Trifluoroethanol molecules synchronize their transiently chiral gauche configurations upon dimerization in supersonic jet expansions, while they avoid an energetically competitive heteroconfigurational hydrogen bonded dimer topology predicted by extensive quantum chemical calculations.

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Year:  2006        PMID: 17047764     DOI: 10.1039/b609868a

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  1 in total

1.  Assessing the accuracy of the general AMBER force field for 2,2,2-trifluoroethanol as solvent.

Authors:  Xiangyu Jia; John Z H Zhang; Ye Mei
Journal:  J Mol Model       Date:  2013-02-10       Impact factor: 1.810

  1 in total

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