Excited electronic states of the .alpha.-dicarbonyls
โ Scribed by Arnett, J. F.; Newkome, G.; Mattice, W. L.; McGlynn, S. P.
- Book ID
- 126837146
- Publisher
- American Chemical Society
- Year
- 1974
- Tongue
- English
- Weight
- 919 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
The alX+-X3II separation is estimated to be 1804-110 cm -m, which is in reasonable agreement with the recent experimental determination that the separation in a neon matrix is between 15 and 182 cm-I. Th~ calculated spectroscopic constants for the excited states confirm the experimental assignment f
The clectran-impact ener&y-loss spectrum of ketene has been measured at impact energics of 30 CV end 50 cV, and SGI~tering angles varying from 5" to 80". Transitions hzvc been observed at 3.7.5.3, and 5.86 cV. These values are in excellent agreement with recent high quality ab initio calculations. T
The results of ab initio SCF and CI calculations on the electronic states of NiCO are reported. The 'X+ ground state is a mixture of two primary configurations associated with the Ni 3d" and 3d94s states, and is bound by 18 kcal mol-' with respect to Ni and CO at R N,C = 1.77 A. The excited states (