Repozytorium

Thin film IR and computational studies of liquid di-n-butylether.

Autorzy

Krzysztof B. Beć

Jerzy P. Hawranek

Rok wydania

2012

Czasopismo

Journal of Molecular Structure

Numer woluminu

1026

Strony

51-58

DOI

10.1016/j.molstruc.2012.05.045

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

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.

Słowa kluczowe

neat liquid di-n-butylether, complex refractive index, thin film IR soectra, IR dispersion, anharmonic vibrational analysis

Adres publiczny

http://dx.doi.org/10.1016/j.molstruc.2012.05.045

Strona internetowa wydawcy

http://www.elsevier.com

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