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

Research output: Other contributionNet publication - Internet publicationResearch

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.
Original languageEnglish
Publication dateFeb 2015
DOIs
Publication statusPublished - Feb 2015

Cite this

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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",
month = "2",
doi = "10.13140/2.1.2771.5366",
language = "English",
type = "Other",

}

Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations. / Eriksen, Troels K; Karlsen, Eva; Spanget-Larsen, Jens.

2015, .

Research output: Other contributionNet publication - Internet publicationResearch

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 -