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Excited electronic states of ketene

✍ Scribed by Dykstra, Clifford E.; Schaefer, Henry F.

Book ID: 126465759
Publisher: American Chemical Society
Year: 1976
Tongue: English
Weight: 892 KB
Volume: 98
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00426a001

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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

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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 (

Chemistry of Excited Electronic States

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