NASA NTRS · 19890029027
The computed spectrum of AlC
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.
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Bauschlicher, Charles W., Jr., Langhoff, Stephen R., Pettersson, Lars G. M.. 1988-11-01. The computed spectrum of AlC. https://ntrs.nasa.gov/citations/19890029027
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