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

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