Oxygen Fluorides and Dioxygenyl Compounds

Computational 19F NMR. 1. General features

“…It then seems that a reasonable agreement with experiment can only be attained using the experimental geometry, above and beyond the difficulties shown above for fluorine compounds. It must also be noted, however, that the reported experimental value of 825 ppm [1] derives from an extrapolation to infinite dilution and -83°C of the shift (865 ppm) determined for the neat liquid at -128°C [105]. Given the approximations involved and the high sensitivity to experimental conditions, it seems that a reliable experimental d( 19 F) value for FOOF is hardly available.…”

Nitrosyl and dioxygenyl cations and their salts—Similar but further investigation needed

“…A large number of different O 2 + salts have been subsequently prepared. They are conveniently prepared by UV-photolysis of oxygen/fluorine mixtures in the presence of respective Lewis acid fluorides [14,15]. O 2 AsF 6 and O 2 SbF 6 could be prepared using a photochemical-reaction exposure of O 2 /F 2 and appropriate pentafluoride mixture to daylight [16].…”

Electron spin resonance study of dioxygenyl ion salts. Influence of crystal field effects and relaxation

“…The application of an orthorhombic crystal field further separates the energy levels and quenches the angular momentum (Figure 5c)). Crystal field calculations were carried out in a manner similar to that described by Mergerian and Marshall.12 The matrix elements of the crystal field potential operator Vd are given by eq 1 where Dirac (M¡', Ms'l Vcí¡MgM;) = ¿s.SMsMs'SMl±i,Mi (1) notation is used, Mi and Ms are the azimuthal quantum numbers for the angular momentum and spin, is the Dirac 5 function, and is the magnitude of the crystal Field energy. The 7 and tt* levels consist of values of Mi which are equal to +1 or -1.…”