Electron-impact-induced phosphorescence and mechanism of triplet-state formation in biacetyl

Inoue, A.

doi:10.1016/0009-2614(86)80698-4

Chemical Physics Letters

1986

DOI: 10.1016/0009-2614(86)80698-4

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Electron-impact-induced phosphorescence and mechanism of triplet-state formation in biacetyl

A. Inoue

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2003

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Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)

Gómez‐Zavaglia

Fausto

2003

Journal of Molecular Structure

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2,3-Butanedione (diacetyl) was studied by matrix-isolation and low temperature solid state FT-IR spectroscopy, supported by molecular orbital calculations undertaken at the DFT(B3LYP) and MP2 levels of theory with the 6-311þþG(d,p) basis set. Both in the crystalline phase and in the matrices, the compound exists in the C 2h symmetry trans conformation (OyC-CyO dihedral angle of 1808). This form corresponds to the single conformational state predicted by the theoretical calculations for the compound in vacuum. However, in the low temperature amorphous state, obtained by fast deposition of the vapour of the compound onto a suitable cold (9 K) substrate, as well as in the liquid and gaseous phases, spectroscopic features are observed that can only be explained by assuming that conformations without an inversion centre (C 2 symmetry) do also contribute to the spectra. These results are in agreement with the experimental evidence that diacetyl has a permanent dipole moment (ca.1 Debye) in the vapour phase at room temperature and are here explained taking into consideration the influence of the low frequency large amplitude torsional vibration around the central C-C bond on the molecular properties. q

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Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)

Gómez‐Zavaglia

Fausto

2003

Journal of Molecular Structure

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show abstract

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Electron-impact-induced phosphorescence and mechanism of triplet-state formation in biacetyl

Cited by 1 publication

References 15 publications

Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)

Matrix-isolation and solid state low temperature FT-IR study of 2,3-butanedione (diacetyl)

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