The standard molar enthalpy of formation of fluorofullereneC60F48

Mass spectrometry, photoelectron spectroscopy, and quantum chemical studies of fluorofullerene dianions

“…This hypothesis is supported by our observations of the partial or even complete defluorination of fullerene fluorides upon the increase of the donor concentration. The lower strength of C F bonds in fluorofullerenes relative to sterically unstrained organic compounds (the average C F bond energy in C 60 F 2n does not exceed 300 kJ/mol and decreases from C 60 F 36 to C 60 F 48 ) [28,29] and higher stability of the closed-shell anionic species can serve as additional driving forces for the processes of F atom loss and charging. On one hand, such defluorination processes that accompany ESI MS of fluorofullerenes can be regarded as a drawback of the ESI-based method of anion production as compared to the gas-phase electron-capture techniques, since it is more difficult to generate molecular ions or doubly charged anions of the parent molecules.…”

Direct fluorination of fullerenes

“…The energy of combustion of C 60 F 48 for burning in a rotating bomb calorimeter (724 638AE163 kJ mol 71 ) and the standard molar enthalpy of formation of C 60 F 48 in the crystalline state have been determined 64 (see Table 7).…”

Endohedral metal derivatives and exohedral fluorine derivatives of fullerenes

“…It is of interest to compare these results with the data on the thermodynamic stability of highly fluorinated fullerenes. The measurements of the combustion energies for C 60 , 46 C 60 F 36 47 and C 60 F 48 48 and the enthalpies of sublimation of these compounds gave average values for the C7F bond energy in C 60 F 36 and C 60 F 48 fluorofullerenes equal to 295.0 AE 5.6 and 287.5 AE 3.5 kJ mol 71 , respectively. These data also made it possible to estimate the enthalpy of the reaction C 60 F 36 + 12 F = C 60 F 48 per fluorine atom; the result was 265 kJ mol 71 .…”

“…The average C7F bond energies in the C 60 F 48 (g) and C 60 F 36 (g) molecules are 287.5 and 295 kJ mol 71 , respectively. 47,48 This allows one to calculate the average C7F bond energy for the addition of 12 fluorine atoms to the C 60 F 36 molecule, which equals 265 kJ mol 71 (see Section VI.3.b). On the basis of these data, the jump in the C7F bond energy on passing from n < 36 to n > 36 in the series of C 60 F n is estimated as 30 kJ mol 71 .…”

“…Thermodynamic characteristics of C60F48 and C60F36 fluorofullerenes at 298.15 K 47,48,107,137. DcU m is the standard combustion energy, DcH m , DfH m and DsubH m are the standard enthalpies of combustion, formation and sublimation, respectively, S 8 is the standard entropy, and DfG m is the Gibbs energy of formation of fluorofullerenes.…”