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

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 phase and in the matrices, the co...

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Bibliographic Details
Main Author: Gómez-Zavaglia, Andrea (author)
Other Authors: Fausto, R. (author)
Format: article
Language:eng
Published: 2003
Subjects:
Diacetyl
Matrix-isolation FT-IR
Density functional theory calculations
Molecular structure
Dipole moment
Online Access:http://hdl.handle.net/10316/5152
Country:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5152

Internet

http://hdl.handle.net/10316/5152

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