Thermodynamic background (Gibbs energy, enthalpy and entropy).
Bond energies. Bond dissociation enthalpies and energies. Bond enthalpy contributions and bond strengths. Phase transition enthalpies and entropies.
Experimental techniques and methods for the determination of thermochemical and thermophysical data: fundamentals on combustion calorimetry, isoperibol reaction-solution calorimetry, heat flow calorimetry, photocalorimetry, titration calorimetry, differential scanning calorimetry, photoacoustic calorimetry, vapour pressure measurements.
Thermodynamic data as a framework to discuss molecular stability. Relations on the energy of the chemical bonds with the structural and reactivity properties of compounds. Relations of entropy and enthalpy of sublimation with structural properties of crystals.
Estimation of energetic properties using thermochemical group increments models or molecular mechanics calculations. Use and relevance of computational chemistry on thermochemical studies.
This course deals with the thermodynamic stability of molecules and the use of thermochemical and thermophysical studies to understand the molecular energetics, as well as their practical applications in several areas of science.
- “Molecular Energetics. Condensed-Phase Thermochemical Techniques”, J. A. Martinho Simões, M. E. Minas da Piedade, Oxford University Press, 2008.