On the carbon suboxide bending potential (ν7) |
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| Authors: | Richard L Lozes John R Sabin Jens Oddershede |
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| Institution: | Quantum Theory Project, University of Florida, Gainesville, Florida 32611 USA;Kemisk Institut, Odense Universitet, Odense, Denmark |
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| Abstract: | An ab initio LCAO-MO-SCF calculation of the ν7 bending potential of carbon suboxide (C3O2) is presented. The potential is found to have a double minimum with a barrier of 71.1 cm?1, and minimum energy at a bending angle of 15.5°, in reasonable agreement with results obtained from spectroscopic measurements. |
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