Abstract (EN):
The standard (p° = 0.1 M Pa) molar enthalpies of formation for 4-methylbiphenyl, 4,4'-dimethylbiphenyl and 4,4'-dimethyl-2,2'bipyridine were derived from the standard molar enthalpies of combustion, in oxygen, at T= 298.15 K, measured by static-bomb combustion calorimetry. The standard molar enthalpies of sublimation, at T= 298.15 K, were measured by Calvet microcalorimetry. Theoretical calculations at the ab initia restricted Hartree-Fock (RHF) level with second-order Moller-Plesset (MP2) perturbation theory correlation corrections and density functional theory (DFT) have been carried out for all these molecules in order to access their stabilitites relative to the non-substituted ones. The theoretical results are in general good agreement with the experimental results.
Language:
English
Type (Professor's evaluation):
Scientific
No. of pages:
5