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

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Gómez-Zavaglia, Andrea; Fausto, R.;
(2003)
  • Subject: Molecular structure | Diacetyl | Density functional theory calculations | Dipole moment | Matrix-isolation FT-IR

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 6-311++G(d,p) basis set. Both in the crystalline pha... View more
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