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 journalArticlepeer-review

10 Citations (Scopus)


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
Early online date8 Sept 2017
Publication statusPublished - Oct 2017

Bibliographical note

The authors gratefully acknowledge financial support from the German Research Foundation (DFG) via grant KI1396 / 4-1. The authors also acknowledge the financial support from the Institutional Strategy funded by the Federal Government's and the Federal States' Excellence Initiative. Paulo B. P. Serra acknowledges support from the EU's COST-STSM-CM1206-33454 and COST-STSM-CM1206-33991. Furthermore, Paulo B. P. Serra acknowledges financial support from specific university research (MSMT No. 20/2016). The authors thank Sabine Wagenfeld for technical assistance.


  • Infrared spectroscopy
  • Heptanol
  • Branched isomers
  • Steric hindrance
  • H-bond


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