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Title:EFFECTS OF CHIRALITY IN HOMODIMERS OF 3,3,3-TRIFLUORO-1,2-EPOXYPROPANE
Author(s):Marshall, Mark D.
Contributor(s):Jäger, Wolfgang; Xu, Yunjie; Seifert, Nathan A.; Leung, Helen O.
Subject(s):Chirality and stereochemistry
Abstract:We are investigating the suitability of 3,3,3-trifluoro-1,2-epoxypropane [2-(trifluoromethyl)-oxirane, or TFO] as a tag for chiral analysis through conversion of enantiomers into structurally distinct diastereomers via the formation of non-covalently bound heterodimers. This method can determine the absolute stereochemistry and enantiomeric composition of an analyte and shows promise for great impact in analytical chemistry. Using density functional theory, we examine the possible conformations of both homochiral (RR or SS) and heterochiral (RS or SR) homodimers of TFO to guide the search for the microwave spectra of these species. Several conformers are found for each, but the lowest energy heterochiral TFO dimer is a microwave silent one with an inversion center. However, a spectrum is observed that can be assigned to the lowest energy geometry of the homochiral TFO dimer.
Issue Date:06/19/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100510
DOI:10.15278/isms.2018.TC04
Other Identifier(s):TC04
Date Available in IDEALS:2018-08-17
2018-12-12


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