Quantitative correlation of Raman spectral indicators in determining conformational order in alkyl chains

Christopher J. Orendorff, Michael W. Ducey, Jeanne E Pemberton

Research output: Contribution to journalArticle

116 Citations (Scopus)

Abstract

The correlation of Raman spectral indicators for the determination of alkyl chain interactions and conformational order is presented. These investigations probe the conformational order of bulk octadecane and low molecular weight polyethylene as they undergo solid/liquid phase transitions. Spectral indicators are quantitatively correlated to the I[va(CH2)]/I[vs(CH2)], as this is the primary indicator of rotational and conformational order obtained empirically from Raman spectra. These indicators are interpreted in terms of alkane intramolecular motion, intermolecular interactions between alkyl chains, crystal structure of these solid materials, and the presence of methylene conformers. Results demonstrate that Raman spectroscopy is sensitive to very subtle changes in alkane chain structure and conformation. These results can be used to understand molecular interactions and structure-function relationships in alkane-based materials.

Original languageEnglish (US)
Pages (from-to)6991-6998
Number of pages8
JournalJournal of Physical Chemistry A
Volume106
Issue number30
DOIs
StatePublished - Aug 1 2002

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Alkanes
alkanes
Molecular interactions
Polyethylene
Molecular structure
Raman spectroscopy
Conformations
Raman scattering
molecular interactions
low molecular weights
Crystal structure
Phase transitions
Molecular weight
methylene
polyethylenes
liquid phases
molecular structure
Liquids
interactions
Raman spectra

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Quantitative correlation of Raman spectral indicators in determining conformational order in alkyl chains. / Orendorff, Christopher J.; Ducey, Michael W.; Pemberton, Jeanne E.

In: Journal of Physical Chemistry A, Vol. 106, No. 30, 01.08.2002, p. 6991-6998.

Research output: Contribution to journalArticle

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