Thermochemical studies of substituted phenylnitrenes: Enthalpies of formation of chlorophenylnitrenes
Affiliation:
1. School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang, Henan 453007, China;2. School of Chemistry and Chemical Engineering, Henan Institute of Science and Technology, Xinxiang, Henan 453003, China;3. CIQ (UP), Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, R. Campo Alegre, 687, P-4169-007 Porto, Portugal;1. Department of Chemistry, Faculty of Sciences, University of Craiova, Str. Calea Bucuresti 107 I, 200512 Craiova, Romania;2. Department of Chemistry, University of Turin, Via P. Giuria 9, 10125 Torino, Italy;3. Department of Physical Chemistry, University of Łódź, ul. Pomorska 165, 90-236 Łódź, Poland;1. Infection Control Department, Instituto Nacional de Cardiologia, Rio de Janeiro, Brazil;2. Universidade Estácio de Sá, Rio de Janeiro, Brazil;3. Medical School, Universidade Federal Fluminense, Centro, Niterói, Rio de Janeiro, Brazil;4. Biostatistics Department, Instituto Nacional de Cardiologia, Rio de Janeiro, Brazil;5. Heart Valve Disease Department, Instituto Nacional de Cardiologia, Rio de Janeiro, Brazil;6. Infection Control Department, Instituto Nacional do Cancer, Rio de Janeiro, Brazil;7. Universidade do Grande Rio, Duque de Caxias, Brazil;8. Cardiovascular Research Unit, Instituto Nacional de Cardiologia, Rio de Janeiro, Brazil
Abstract:
The gas-phase acidities of chloroanilino-radicals have been measured, and have been combined with the electron affinities of chlorophenylnitrenes to determine the N–H bond dissociation energy of chloroanilino-radicals and the enthalpies of formation for the triplet, singlet, and radical anion states of the isomeric nitrenes. There is little difference found between the bond dissociation energies in the radicals and those in the corresponding anilines, indicating little interaction between the unpaired electrons in the chlorophenylnitrene, as expected. The values obtained are in good agreement with the values obtained from the theoretical calculations.
