Thermal Decomposition of B(C6F5)3·Py Complex

Abstract

The crystal structure of the new polymorphic modification of B(C₆F₅)₃·Py complex was determined. It was shown by a static tensimetric method using a membrane null manometer that in the condensed phase in an excess of pyridine, B(C₆F₅)₃·Py complex is stable up to 220°C. When temperature rises to 230°C, the complex undergoes irreversible thermal decomposition, with the release of pentafluorobenzene and the polymerization of pyridine. The sublimation enthalpy of B(C₆F₅)₃·Py was determined for the first time by the calorimetric method. The results of quantum chemical calculations using the M06-2X method provide qualitative agreement with the experiment, in contrast to the B3LYP method.