Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers

S. Bauer; J. Stern; F. Böhm; C. Gainaru; M. Havenith; T. Loerting; R. Böhmer

doi:10.1016/j.vibspec.2015.05.001

Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers

S. Bauer, J. Stern, F. Böhm, C. Gainaru, M. Havenith, T. Loerting, R. Böhmer

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

Results from far-, mid-, and near-infrared spectroscopy are presented and combined with previous dielectric data on 2-ethyl-1-hexanol and 4-methyl-3-heptanol. This yields the electromagnetic absorption spectrum of the two monohydroxy alcohols, presented in terms of the imaginary part of the complex refractive index in a very wide frequency range. Low-frequency Raman measurements and far-infrared spectra hint at differences in the supramolecular structure of the two alcohols. By comparing the wavenumbers and amplitudes of the fundamental and the first overtone of the hydroxyl group's stretching vibration the temperature dependence of anharmonic effects and hydrogen bond cooperativity is studied.

Original language	English
Pages (from-to)	59-66
Number of pages	8
Journal	Vibrational Spectroscopy
Volume	79
DOIs	https://doi.org/10.1016/j.vibspec.2015.05.001
State	Published - Jun 4 2015
Externally published	Yes

Funding

Funders	Funder number
Deutsche Forschungsgemeinschaft	BO1301/8-2

Keywords

Anharmonicity
Hydrogen-bonding
Infrared
Monohydroxy alcohols
Near-infrared
Structural isomers

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10.1016/j.vibspec.2015.05.001

Cite this

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title = "Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers",

abstract = "Results from far-, mid-, and near-infrared spectroscopy are presented and combined with previous dielectric data on 2-ethyl-1-hexanol and 4-methyl-3-heptanol. This yields the electromagnetic absorption spectrum of the two monohydroxy alcohols, presented in terms of the imaginary part of the complex refractive index in a very wide frequency range. Low-frequency Raman measurements and far-infrared spectra hint at differences in the supramolecular structure of the two alcohols. By comparing the wavenumbers and amplitudes of the fundamental and the first overtone of the hydroxyl group's stretching vibration the temperature dependence of anharmonic effects and hydrogen bond cooperativity is studied.",

keywords = "Anharmonicity, Hydrogen-bonding, Infrared, Monohydroxy alcohols, Near-infrared, Structural isomers",

author = "S. Bauer and J. Stern and F. B{\"o}hm and C. Gainaru and M. Havenith and T. Loerting and R. B{\"o}hmer",

year = "2015",

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doi = "10.1016/j.vibspec.2015.05.001",

language = "English",

volume = "79",

pages = "59--66",

journal = "Vibrational Spectroscopy",

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TY - JOUR

T1 - Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers

AU - Bauer, S.

AU - Stern, J.

AU - Böhm, F.

AU - Gainaru, C.

AU - Havenith, M.

AU - Loerting, T.

AU - Böhmer, R.

PY - 2015/6/4

Y1 - 2015/6/4

N2 - Results from far-, mid-, and near-infrared spectroscopy are presented and combined with previous dielectric data on 2-ethyl-1-hexanol and 4-methyl-3-heptanol. This yields the electromagnetic absorption spectrum of the two monohydroxy alcohols, presented in terms of the imaginary part of the complex refractive index in a very wide frequency range. Low-frequency Raman measurements and far-infrared spectra hint at differences in the supramolecular structure of the two alcohols. By comparing the wavenumbers and amplitudes of the fundamental and the first overtone of the hydroxyl group's stretching vibration the temperature dependence of anharmonic effects and hydrogen bond cooperativity is studied.

AB - Results from far-, mid-, and near-infrared spectroscopy are presented and combined with previous dielectric data on 2-ethyl-1-hexanol and 4-methyl-3-heptanol. This yields the electromagnetic absorption spectrum of the two monohydroxy alcohols, presented in terms of the imaginary part of the complex refractive index in a very wide frequency range. Low-frequency Raman measurements and far-infrared spectra hint at differences in the supramolecular structure of the two alcohols. By comparing the wavenumbers and amplitudes of the fundamental and the first overtone of the hydroxyl group's stretching vibration the temperature dependence of anharmonic effects and hydrogen bond cooperativity is studied.

KW - Anharmonicity

KW - Hydrogen-bonding

KW - Infrared

KW - Monohydroxy alcohols

KW - Near-infrared

KW - Structural isomers

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DO - 10.1016/j.vibspec.2015.05.001

M3 - Article

AN - SCOPUS:84930947996

SN - 0924-2031

VL - 79

SP - 59

EP - 66

JO - Vibrational Spectroscopy

JF - Vibrational Spectroscopy

ER -

Vibrational study of anharmonicity, supramolecular structure, and hydrogen bonding in two octanol isomers

Abstract

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Keywords

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