Calculation of the lattice energies and the energies of complexation of some paraquinones and parahydroquinones

Autor: N. B. Chanh, H. G. M. de Wit, C. H. M. van der Klauw, J. L. Derissen, H. A. J. Govers
Rok vydání: 1980
Předmět:
Zdroj: Acta Crystallographica Section A. 36:490-492
ISSN: 0567-7394
DOI: 10.1107/s0567739480001015
Popis: The lattice energies and the solid-state energies of eomplexation of a number of benzo- and naphtho- quinones and -hydroquinones are calculated by methods making use of atom-atom potentials. For the lattice energies, quantitative agreement with experimental data is satisfying. For the much smaller energies of complexation, qualitative agreement, with the right sign and of the right order of magnitude, is obtained.
Databáze: OpenAIRE