Gomes, Jose R. B.; Amaral, Luisa M. P. F.; Ribeiro da Silva, Manuel A. V. published the artcile< Gas-phase thermochemistry of chloropyridines>, Electric Literature of 14121-36-9, the main research area is chloropyridine formation enthalpy metal cation affinity.
The gas-phase standard molar enthalpy of formation of 2,3,5-trichloropyridine was derived from the enthalpies of combustion of the crystalline solid measured by rotating-bomb calorimetry and its enthalpy of sublimation obtained by Calvet microcalorimetry at T = 298.15 K. The standard enthalpies of formation for this compound and for the other chloro-substituted pyridines were determined by DFT calculations The exptl. enthalpy of formation of 2,3,5-trichloropyridine is (65.8 ± 2.3) kJ mol-1, in excellent agreement with the B3LYP/6-311+G(2d,2p)//B3LYP/6-31G(d) value. The affinity of pyridine to some metal cations was also calculated at the same DFT level of theory and compared with exptl. data.
Chemical Physics Letters published new progress about Binding energy (of pyridine- and chloropyridine-cation complexes). 14121-36-9 belongs to class pyridine-derivatives, and the molecular formula is C5HCl4N, Electric Literature of 14121-36-9.