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Infrared spectroscopy of matrix-isolated polycyclic aromatic nitrogen heterocycles (panhs)
| Content Provider | NASA Technical Reports Server (NTRS) |
|---|---|
| Author | Biemesderfer, C. D. Bauschlicher, C. W. Mattioda, A. L. Rosi, M. Allamandola, L. J. Hudgins, D. M. |
| Copyright Year | 2002 |
| Description | The mid-infrared spectra of the nitrogen-containing heterocyclic polycyclic aromatic compounds 1-azabenz[a]-anthracene; 2-azabenz[a]anthracene; 1-azachrysene; 2-azachrysene; 4-azachrysene; 2-azapyrene, and 7,8 benzoquinoline in their neutral and cation forms were investigated. The spectra of these species isolated in an argon matrix have been measured. Band frequencies and intensities were tabulated and these data compared with spectra computed using density functional theory at the B3LYP level. The overall agreement between experiment and theory is quite good, in keeping with earlier results on homonuclear polycyclic aromatic hydrocarbons. The differences between the spectral properties of nitrogen bearing aromatics and non-substituted, neutral polycyclic aromatic hydrocarbons will be discussed. |
| File Size | 209945 |
| Page Count | 3 |
| File Format | |
| Alternate Webpage(s) | http://archive.org/details/NASA_NTRS_Archive_20030058917 |
| Archival Resource Key | ark:/13960/t41s1rk83 |
| Language | English |
| Publisher Date | 2002-11-01 |
| Access Restriction | Open |
| Subject Keyword | Astrophysics Infrared Spectroscopy Polycyclic Aromatic Hydrocarbons Heterocyclic Compounds Spectral Bands Nitrogen Compounds Cations Argon Vibrational Spectra Ntrs Nasa Technical Reports Server (ntrs) Nasa Technical Reports Server Aerodynamics Aircraft Aerospace Engineering Aerospace Aeronautic Space Science |
| Content Type | Text |
| Resource Type | Article |
