A JET-COOLED ROTATIONAL STUDY OF EPHEDRINE AND P-METOXYPHENYLAMINE
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Date
2005
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Publisher
Ohio State University
Abstract
The first gas phase rotational spectrum of ephedrine, a synthetic analog of the neurotransmitter adrenaline with similar effects on the cardiovascular system, has been observed using a molecular beam Fourier transform microwave spectrometer. Solid ephedrine (m.p. 36 $^{irc}$C) was vaporized by heating it in a reservoir located in pulsed valve. In these conditions the three lowest-energy conformers of ephedrine have been detected. Hyperfine structure due to the presence of a $^{14}$N nucleus ($I=1$) has been observed for all conformers, allowing the unambiguous assignment of their spectra. Microwave spectroscopy in supersonic jets has been also applied to the conformational and structural analysis of the p-methoxiphenylethylamine molecule. The rotational spectra of the seven conformers previously observed by Pratt \textit{et al}.}, \textbf{4}, 5244 (2002) } have been unambiguously assigned on the basis of the values of their rotational and nuclear quadrupole coupling constants. The predictions of \textit{ab initio} calculations have been used as guidelines.
Description
{J. T. Li, E. G. Robertson and D. W. Pratt, \textit{Phys. Chem. Chem. Phys.
Author Institution: Grupo de Espectroscop\ia Molecular (GEM), Departamento de Qu\imica F\isica y Qu\imica Inorganica, Facultad de Ciencias, Universidad de Valladolid, E-47005 Valladolid, Spain
Author Institution: Grupo de Espectroscop\ia Molecular (GEM), Departamento de Qu\imica F\isica y Qu\imica Inorganica, Facultad de Ciencias, Universidad de Valladolid, E-47005 Valladolid, Spain