QUANTUM-CHEMICAL INVESTIGATION OF MOLECULAR-COMPLEXES OF HYDROGEN-CHLORIDE DIMERстатья
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Дата последнего поиска статьи во внешних источниках: 27 мая 2015 г.
Аннотация:The AMl quantum-chemical method has been used in an investigation of complexes of hydrogen chloride with chlorine and with the typical organic donors ethylene and benzene, as well as hydrogen chloride dimers and complexes of the dimers with these same two compounds. The geometry of the complexes, the degree of charge transfer in the complexes, and their stabilization energies have been determined. The results from the calculations are in agreement with the available experimental data. The complexes of the hydrogen chloride dimer are more stable in all cases than the complexes of monomeric HCl. The complexes of the dimer are characterized by a greater degree of charge transfer, and the charges on the hydrogen and chlorine atoms are greater in absolute magnitude. The considerable polarization of the molecules in such complexes may lead to changes in their reactivities.