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The computed spectrum of AlCThe 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.
Document ID
19890029027
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
doi:10.1063/1.455550
Authors
Bauschlicher, Charles W., Jr. (NASA Ames Research Center Moffett Field, CA, United States)
Langhoff, Stephen R. (NASA Ames Research Center Moffett Field, CA, United States)
Pettersson, Lars G. M. (NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 14, 2013
Publication Date
November 1, 1988
Publication Information
Publication: Journal of Chemical Physics
Volume: 89
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Report/Patent Number
ISSN: 0021-9606
Accession Number
89A16398
Distribution Limits
Public
Copyright
Other

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