Differential scanning calorimetry, solution calorimetry, and
room-temperature single-crystal X-ray diffraction
were used to study the thermodynamic and structural properties of a
solvated crystal
C60·2C6H5Br. In
the
monoclinic solvate, two orientations of C60 were observed
with fractional populations of 0.71 and 0.29. The
enthalpy of solution of pure C60 in bromobenzene was
determined to be
Δsol
H[C60(s)] = −11.5
± 2.0 kJ/mol.
The enthalpy of solution of the solvated crystal was
Δsol
H[C60·2C6H5Br(s)]
= +28 ± 1 kJ/mol. The phase
diagram of the system
C60−C6H5Br for T
< 423 K was constructed. It predicts the existence of a
maximum
in the temperature−solubility relationship for C60 in
bromobenzene at 350 K. The activity of bromobenzene
vapor over the solvated crystal is predicted to be reduced from its
value over the pure liquid by a factor of
3.5.
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