The conformational stability of gaseous 1-butene studied by femtosecond nonlinear spectroscopy and ab initio calculations

1-Butene was investigated by rotational femtosecond degenerate four-wave mixing spectroscopy (fs DFWM) under supersonic expansion conditions as well as by quantum chemical calculations. Fs DFWM is a time-resolved rotational Raman spectroscopy, which allows for precise determination of rotational con...

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Hauptverfasser: Kunitski, Maksim (VerfasserIn) , Dreuw, Andreas (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 12 May 2011
In: Vibrational spectroscopy
Year: 2011, Jahrgang: 56, Heft: 1, Pages: 13-18
ISSN:0924-2031
DOI:10.1016/j.vibspec.2010.07.006
Online-Zugang:Verlag, Volltext: http://dx.doi.org/10.1016/j.vibspec.2010.07.006
Verlag, Volltext: http://www.sciencedirect.com/science/article/pii/S092420311000113X
Volltext
Verfasserangaben:Maksim Kunitski, Stefan Knippenberg, Andreas Dreuw, Bernhard Brutschy

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520 |a 1-Butene was investigated by rotational femtosecond degenerate four-wave mixing spectroscopy (fs DFWM) under supersonic expansion conditions as well as by quantum chemical calculations. Fs DFWM is a time-resolved rotational Raman spectroscopy, which allows for precise determination of rotational constants. The experimental fs DFWM spectrum was successfully reproduced by a fitted simulation using a single structure ascribed to the gauche conformer of 1-butene. 
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