IR Study of Complexation i the System 1,10-Phenanthroline-LiClO_4 (NaClO_4)-Acetone

摘要

By ab initio calculations, the molecular geometries of 1,10-phenanthroline and its 1:1 and 1:2 complexes with lithium and sodium ions were optimized, and the frequencies and intensities of normal modes of these species were evaluated. The experimentally observed bands were assigned on the basis of the calculation results. The concentration dependences of the IR spectra of the system 1,10-phenanthroline-LiClO_4 (NaClO_4)-acetone-d_6 (C_phen 0.05, C_salt from 0 to 1 M) were interpreted. The formation of the 1:1 and 1:2 complexes was confirmed spectroscopically.