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Renner spliting in the first ionized state of BeF2

✍ Scribed by M. Braga; S. Canuto; M.A.F. Gomes

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
363 KB
Volume
101
Category
Article
ISSN
0009-2614

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✦ Synopsis

The splitting of the 2t7g state of BeFz into the 2 B2 and 2A, components h.xs been inw&igated theoretically by ab initio UHF calculations. The 2A2 component is found to be linear, and the 2B2 state is calculated to ha% minima at bond an@% of 180Β° and = 100Β° _ with the bent conformation lying lower_ Analysis of a possible interaction between two states of 2B2 symmetry is made. Electron binding energies and symmetric bending force constants are reported. For comparisxt,a parallel investigation is reported on the analogous states of the isoelectronic CO:.

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