STRUCTURE DETERMINATION OF TWO STEREOISOMERS OF SEVOFLURANE DIMER BY CHIRPED PULSE FTMW SPECTROSCOPY

Research Projects

Organizational Units

Journal Issue

Abstract

Two stereoisomers of sevoflurane dimer have been detected using chirped pulse FTMW spectroscopy from 2-8 GHz. The identified complexes are distinguished by their differing helicities, and together both isomers form a diastereomeric pair, one being homochiral (RR/SS) and the other heterochiral (RS/SR). For both isomers, all 8 $^{13}$C isotopologues have been assigned, and two $^{18}$O isotopologues have also been detected for the homochiral isomer, for a total of 18 isotopologues. MP2/6-311++g(d,p) calculations predict the heterochiral isomer as 1.2 kJ mol$^{-1}$ above the homochiral species, which is consistent with the observed relative intensities between the two species. A summary of these microwave results, including a comparison between the Kraitchman and ab initio structures, will be presented.

Description

Author Institution: Department of Chemistry, University of Virginia, McCormick Rd.; Charlottesville, VA 22904-4319; Departamento de Quimica Fisica y Quimica Inorganica, Facultad de Ciencias, Universidad de Valladolid, E-47011 Valladolid, Spain; Departamento de Quimica Fisica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco (UPV/EHU), Campus de Leioa, Ap. 644, E-48080 Bilbao, Spain

Keywords

Citation