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Generation of ‘Bare’ FeF+ by CF Bond Activation in the Gas Phase and Evaluation of Thermochemical Data. Short communication

✍ Scribed by Detlef Schröder; Jan Hrušák; Helmut Schwarz

Publisher
John Wiley and Sons
Year
1992
Tongue
German
Weight
246 KB
Volume
75
Category
Article
ISSN
0018-019X

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✦ Synopsis

Abstract

The title compound FeF^+^ has been generated in a Fourier‐transform ion‐cyclotron‐resonance mass spectrometer via CF bond activation by reacting hexafluorobenzene with bare FeO^+^. Bracketing experiments provide a bond‐dissociation energy (BDE) for FeF^+^ of 86 < BDE < 101 kcal/mol. High‐level CAS‐MCSCF pseudopotential ab initio calculation, including 501036 electronic configurations, predict a BDF(Fe^+^F) of 100.9 kcal/mol.

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