Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.

摘要: The enthalpies of formation in the condensed and gas states, Delta f H m degrees (cd) (g), 2- 3-thiopheneacetic acids were derived from their respective combustion oxygen, measured by a rotating bomb calorimeter, variation vapor pressure with temperature determined Knudsen effusion technique. Theoretical calculations at G3 level performed, study on molecular electronic structure compounds has been carried out. Calculated (g) values using atomization isodesmic reactions are compared experimental data. Experimental theoretical results show that acid is thermodynamically more stable than 2-isomer.