Title of article
Thin film IR and computational studies of liquid di-n-butylether
Author/Authors
Be?، نويسنده , , K.B. and Hawranek، نويسنده , , J.P.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
8
From page
51
To page
58
Abstract
The complex refractive index spectrum in the NIR and MIR range of liquid di-n-butylether (DNBE) was determined. Thin film recording technique was required to obtain quantitative transmission spectra in the MIR range. Raman spectrum was also collected. The experiment was supported by a conformer population analysis and anharmonic vibrational analysis, with the use of B2PLYP/N07D method.
Keywords
Neat liquid di-n-butylether , Complex refractive index , Thin film IR spectra , Anharmonic vibrational analysis , IR dispersion
Journal title
Journal of Molecular Structure
Serial Year
2012
Journal title
Journal of Molecular Structure
Record number
1971927
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