Infrared spectroscopy of the symmetric branched isomers of n-heptanol

Paulo B. P. Serra, Marisa A. A. Rocha, Bernd Rathke, Kvetoslav Ruzicka, Michal Fulem, Johannes Kiefer*

*Corresponding author for this work

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Three pure heptanol isomers were studied using infrared spectroscopy: n-heptanol, 2,4-dimethyl-3-pentanol, and 3-ethyl-3-pentanol. In order to analyze.the branching effect of heptanol, investigations on the two symmetric branched isomers have been performed. Branching and steric hindrance highly influence the aggregation in associating systems. Therefore, a systematic comparison with the linear molecule n-heptanol is performed to better understand the experimental data. The vibrational structures were studied in the spectral range from 650 to 4000 cm(-1) and the individual peaks were assigned to the corresponding vibrational modes of the molecules. The OH-stretching band is significantly narrower in the spectra of the branched alcohols compared to n-heptanol. In particular, the low frequency components of the band are absent. This is a result of the steric hindrance leading to a less pronounced hydrogen bonding network. (C) 2017 Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)528-532
Number of pages5
JournalJournal of molecular liquids
Volume244
Early online date8 Sep 2017
DOIs
Publication statusPublished - Oct 2017

Keywords

  • Infrared spectroscopy
  • Heptanol
  • Branched isomers
  • Steric hindrance
  • H-bond
  • HYDROGEN-BONDS
  • VIBRATIONAL-SPECTRA
  • DIMETHYL-SULFOXIDE
  • FERMI-RESONANCE
  • IR SPECTROSCOPY
  • HEAT-CAPACITIES
  • ALCOHOLS
  • WATER
  • REGION

Cite this

Serra, P. B. P., Rocha, M. A. A., Rathke, B., Ruzicka, K., Fulem, M., & Kiefer, J. (2017). Infrared spectroscopy of the symmetric branched isomers of n-heptanol. Journal of molecular liquids, 244, 528-532. https://doi.org/10.1016/j.molliq.2017.09.023