Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: Matrix infrared spectra and anharmonic frequency calculations

Begue, Didier, Baraille, Isabelle, Andersen, Heidi Gade and Wentrup, Curt (2013) Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: Matrix infrared spectra and anharmonic frequency calculations. Journal of Chemical Physics, 139 16: 164314.1-164314.9. doi:10.1063/1.4826647

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Author Begue, Didier
Baraille, Isabelle
Andersen, Heidi Gade
Wentrup, Curt
Title Iminopropadienones RN=C=C=C=O and bisiminopropadienes RN=C=C=C=NR: Matrix infrared spectra and anharmonic frequency calculations
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
1089-7690
Publication date 2013-10-28
Year available 1983
Sub-type Article (original research)
DOI 10.1063/1.4826647
Open Access Status File (Publisher version)
Volume 139
Issue 16
Start page 164314.1
End page 164314.9
Total pages 9
Place of publication College Park, MD, United States
Publisher American Institute of Physics
Language eng
Subject 3100 Physics and Astronomy
1606 Political Science
Abstract Methyliminopropadienone MeN=C=C=C=O 1a was generated by flash vacuum thermolysis from four different precursors and isolated in solid argon. The matrix-isolation infrared spectrum is dominated by unusually strong anharmonic effects resulting in complex fine structure of the absorptions due to the NCCCO moiety in the 2200 cm-1 region. Doubling and tripling of the corresponding absorption bands are observed for phenyliminopropadienone PhN=C=C=C=O 1b and bis(phenylimino)propadiene PhN=C=C=C=NPh 9, respectively. Anharmonic vibrational frequency calculations allow the identification of a number of overtones and combination bands as the cause of the splittings for each molecule. This method constitutes an important tool for the characterization of reactive intermediates and unusual molecules by matrix-isolation infrared spectroscopy.
Keyword Chemistry, Multidisciplinary
Chemistry
CHEMISTRY, MULTIDISCIPLINARY
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2014 Collection
School of Chemistry and Molecular Biosciences
 
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