An improved synthesis of SF5(CN) and its cycloaddition reaction with SNSAsF6. Crystal structure of F5SCNSNSAsF6 and electron spin resonance spectrum of F5SCNSNS?

Prediction on dielectric strength and boiling point of gaseous molecules for replacement of SF6

“…The theoretical value in this work, E r = 1.23, appears to be in good agreement with the previous experimental measurements. Moreover, the predicted boiling points for the species in Table are in good agreement with the available experimental data, indicative of the reliability of the current SAR.…”

Structures and Thermodynamics of the Sulfuranes SF3CN and SF2(CN)2 as well as of the Persulfurane SF4(CN)2 − An ab initio MO Study by the G3(MP2) Method

“…To check the accuracy of the G3(MP2) method for the treatment of hypervalent compounds the enthalpies of F 2 , SF 4 and SF 6 were calculated and the reaction enthalpy for the formation of SF 6 from F 2 ϩ SF 4 was obtained as [12] the reaction enthalpy is calculated as Ϫ450 Ϯ 20 kJ·mol Ϫ1 at 0 K. This agreement is quite satisfactory.…”

“…SF 3 CN and SF 2 (CN) 2 are accessible by metathesis reactions of SF 4 with Me 3 SiCN at low temperatures [Equations (6) and (7)]. [7] SF 4 ϩ Me 3 SiCN Ǟ SF 3 CN ϩ Me 3 SiF (6)…”

“…The sulfur fluorides SF 4 and SF 6 are both important industrial products [1] and highly interesting molecules from a theoretical point of view. As so-called hypervalent or Ϫ better Ϫ hypercoordinate species they have attracted much attention.…”

“…The activation Ϫ1 for the reaction according to Equation (5). Evidently, these energies are unrealistically high since, for instance, the homolytic dissociation of SF 6 into SF 5 and an F atom requires a reaction enthalpy of only 453 kJ·mol…”