Die Wechselwirkung des ClO4-Ions mit HCOOH als Solvens

摘要

CNDO/2-MO-SCF calculations have been performed for the system ClO4−−HCOOH, which indicated small solvation energy and very small changes in molecular geometries as a result of solvation, but higher solvation numbers for ClO4−, compared to monoatomic anions. These results have been examined by means of1H-NMR investigations of solutions of NaCl, NaClO4, NaBr and Na2SO4in HCOOH. The experimental data agree with the conclusions drawn from quantum chemical results. The semiempirical SCF calculations proved as valuable stimulation and supplement for the experimental wo