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The computed spectrum of AlC
- Source :
- Journal of Chemical Physics. 89
- Publication Year :
- 1988
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 1988.
-
Abstract
- The low-lying (up to about 40,000/cm) doublet and quartet states of AlC have been studied at the CASSCF and MRCI levels of theory. The bonding in the X4Sigma(-) state is shown to involve three one-electron bonds. The first excited state, a 2Pi, lies about 8700/cm higher and like the X4Sigma(-) state is derived from ground state Al and C, but has a two-electron pi bond leading to a much shorter bond length.
- Subjects :
- Atomic And Molecular Physics
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 89
- Database :
- NASA Technical Reports
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Report
- Accession number :
- edsnas.19890029027
- Document Type :
- Report
- Full Text :
- https://doi.org/10.1063/1.455550