Abstract
It is shown that SCF-MO calculations provide good estimates of the energies of the processes MF/sub n/ ..-->.. M/sup n+/ + nF/sup -/ where M/sup n+/ is an ion of a first- or second-row element in a closed-shell or s/sup 2/ configuration. The fluoride ion affinities are then calculated for a number of molecules and ions. Where comparison with experiment is possible, the agreement is generally good when allowance is made for experimental uncertainties. In favorable cases, accurate heats of formation may be calculated from fluoride affinities.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.