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Proceedings Paper

Energy Difference Between Specific And Localized Conformational Isomers In Liquid n-alkanes: Nonadecane.
Author(s): G. Conti; P. Jona; G. Zerbi; M. Fouassier
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Paper Abstract

It is well known that the enthalpy difference between rotational isomers in a simple n-alkane molecule can be measured from infrared and Raman spectra when the intensity ratio between two characteristic bands can be plotted as function of temperature. From an Arrhenius p1lot the energy difference can be easily derived and it has been derived for many molecules . It is also known that, when a CH0 group in n-alkane chain is replaced by a CD2 group, its rocking motion gives rise to bands at different frequencies deriending on the onformation about the C-C bonds at Tither sides of the CD group (TT 615 cm , TG 650 cm-1 inside the -1 alkane chain; T 615 cm , G 650 cm at the chain end ). We use these selective conformational markers in the attempt to explore experimentally whether the conformational flexibility of the alkane chain is different in the middle or at the chain end.In other words we whisk to measure the energy difference between TT/TG or T/G conformational pairs. This can be done by measuring the intensity of specific conformational markers as function of temperature and using an Arrhenius plot. The rotational isomeric state model by Flory has also been studied.

Paper Details

Date Published: 20 December 1985
PDF: 3 pages
Proc. SPIE 0553, Fourier and Computerized Infrared Spectroscopy, (20 December 1985); doi: 10.1117/12.970920
Show Author Affiliations
G. Conti, Bruker Spectrospin Italiana (Italy)
P. Jona, Dipartimento di Chimica Industriale del Politecnico (Italy)
G. Zerbi, Dipartimento di Chimica Industriale del Politecnico (Italy)
M. Fouassier, Universite de Bordeaux (France)

Published in SPIE Proceedings Vol. 0553:
Fourier and Computerized Infrared Spectroscopy
David G. Cameron; Jeannette G. Grasselli, Editor(s)

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