Equilibrium studies of weakly bound Fe(L) + complexes with L = Xe, CO 2, N 2 and CH 4
Abstract
The binding energies of Xe, N 2, CO 2 and CH 4 to the Fe + cation have been studied by equilibrium measurements using Fourier-transform mass spectrometry. Reacting mass-selected Fe(CO 2) + with the mixtures N 2/CH 4, CO 4, CO 2/CH 4, CO 2/Xe CO 2/N 2 and Xe/N 2 provides an internally consistent set of equilibrium constants and free energies ΔΔG (298 K). Consideration of B3LYP calculated thermal corrections suggests Fe +-Xe⩽Fe +-CO 2⩽Fe +- N2⩽Fe +-CH 4 for the bond dissociation energies. Using the literature value for D0(Fe + CH4) as an achor point, D0(Fe +Xe) = 11.7 ± 1.5, D0(Fe + CO2) = 13.0 ± 1.3 and D0 (Fe + N2) = 13.4 ± 1.1 kcal/mol are obtained.
- Publication:
-
Chemical Physics Letters
- Pub Date:
- October 1997
- DOI:
- 10.1016/S0009-2614(97)00898-1
- Bibcode:
- 1997CPL...277..399D