Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

Troels K Eriksen, Eva Karlsen, Jens Spanget-Larsen

Publikation: AndetUdgivelser på nettet - Net-publikationForskning

Resumé

The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers and IR intensities are obtained, allowing a fairly detailed assignment of the observed transitions in terms of individual nuclear motions.
OriginalsprogEngelsk
Publikationsdatofeb. 2015
DOI
StatusUdgivet - feb. 2015

Citer dette

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title = "Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations",
abstract = "The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers and IR intensities are obtained, allowing a fairly detailed assignment of the observed transitions in terms of individual nuclear motions.",
author = "Eriksen, {Troels K} and Eva Karlsen and Jens Spanget-Larsen",
year = "2015",
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doi = "10.13140/2.1.2771.5366",
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TY - ICOMM

T1 - Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

AU - Eriksen, Troels K

AU - Karlsen, Eva

AU - Spanget-Larsen, Jens

PY - 2015/2

Y1 - 2015/2

N2 - The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers and IR intensities are obtained, allowing a fairly detailed assignment of the observed transitions in terms of individual nuclear motions.

AB - The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers and IR intensities are obtained, allowing a fairly detailed assignment of the observed transitions in terms of individual nuclear motions.

U2 - 10.13140/2.1.2771.5366

DO - 10.13140/2.1.2771.5366

M3 - Net publication - Internet publication

ER -