| Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid. | |
| | |
MedLine Citation:
|
PMID: 20949192 Owner: NLM Status: In-Process |
Abstract/OtherAbstract:
|
There are many different hypotheses on the origin of biomolecular homochirality. One possible scenario concerns the enantiomeric enrichment of a nearly racemic solid via self-disproportionation of enantiomers. In particular, in a recent paper Soloshonok and co-workers showed a first example of optical self-purification of α-(trifluoromethyl)lactic acid by sublimation [V. A. Soloshonok et al., J. Am. Chem. Soc. 2007, 129, 12112]. Here we present detailed theoretical studies of α-(trifluoromethyl)lactic acid in the solid state as well as in the gas-phase dimeric form. The calculations of energy differences between dimers show that in the solid state the enantiomeric pure compound is energetically preferred, while in the gas phase the equilibrium shifts towards the racemic mixture although thermodynamic corrections cannot be neglected, thus providing a detailed microscopic explanation for the enantio-purification process for the first time. |
| | |
Authors:
|
Ralf Tonner; Vadim A Soloshonok; Peter Schwerdtfeger |
Publication Detail:
|
Type: Journal Article; Research Support, Non-U.S. Gov't Date: 2010-10-14 |
Journal Detail:
|
Title: Physical chemistry chemical physics : PCCP Volume: 13 ISSN: 1463-9084 ISO Abbreviation: Phys Chem Chem Phys Publication Date: 2011 Jan |
Date Detail:
|
Created Date: 2010-12-24 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 100888160 Medline TA: Phys Chem Chem Phys Country: England |
Other Details:
|
Languages: eng Pagination: 811-7 Citation Subset: IM |
Affiliation:
|
Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Straße, 35032 Marburg, Germany. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: An alternative route to detect parity violating energy differences through Bose-Einstein condensatio...
Next Document: Light at the interface: the potential of attenuated total reflection infrared spectroscopy for under...