Revisiting the thermochemistry of chlorine fluorides


In this work, accurate calculations of standard enthalpies of formation of chlorine fluorides (ClFn, n = 1-7; Cl2 F and Cl3 F2 ) were performed through the isodesmic reactions scheme. It is argued that, for many chlorine fluorides, the gold standard method of quantum chemistry (CCSD(T)) is not capable to predict enthalpy values nearing chemical accuracy if… (More)
DOI: 10.1002/jcc.24838


  • Presentations referencing similar topics