Abstract (EN):
The present work reports an experimental thermochemical study supported by state of the art calculations of two heterocyclic compounds containing oxygen in the ring: xanthone and tetrahydro-gamma-pyrone. The standard (pA(0)A = 0.1 MPa) molar enthalpies of formation in the condensed phase, at T = 298.15 K, were derived from the measurements of the standard molar energies of combustion in oxygen atmosphere, using a static bomb calorimeter. The standard molar enthalpies of sublimation or vaporization, at T = 298.15 K, of the title compounds were obtained from Calvet microcalorimetry measurements. These values were used to derive the standard enthalpies of formation of the compounds in the gas-phase at the same temperature, which were compared with estimated data from G3(MP2)//B3LYP computations.
Language:
English
Type (Professor's evaluation):
Scientific
Contact:
mdsilva@fc.up.pt
No. of pages:
7