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Electronic structure of FO and its negative ions

✍ Scribed by Peter Haaland

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 396 KB
Volume: 176
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)90032-5

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✦ Synopsis

Electronic structure calculations of FO and its anion have been performed at rhe QClSD(T) level of ab initio theory using 6-3 l+ G* and extended Gaussian basis sets. The adiabatic electron affinity of FO is calculated to be 2.08 i 0.2 eV. The 'I+ anion, which is bound by 3 eV. dissociates to Ft O-rather than lower energy products F-+O. The disposition of the anion and neutral potentials suggests intriguing results from experiments which would examine the vibrational dependence of electron attachment to FO.

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