Electronic and vibrational spectra of ferricyanide ions doped in NaCl and KCl crystals

Abstract

Ten absorption bands are observed in the electronic spectra of NaCl and KCl crystals doped with Fe(CN)63- ions in the range 50000-20000 cm-1. Six of these bands are assigned to the ligand to metal charge transfer transitions (t1u6t2g5 to t1u5t2g6 and t1u5t2g5eg1 and a1g2t2g5 to a1g1t2g6). The positions of these bands agree with those calculated using Dq=1944 cm-1, B=623 cm-1 and C=3270 cm-1 for d6 configuration. The remaining four bands are assigned to crystal field transitions for d5 configuration and agree with the calculated peak positions for Dq=3450 cm-1, B=700 cm-1 and C=2400 cm-1. Vibration spectrum in the (C identical to N) stretch region shows that the Fe(CN)63- ion is present predominantly in the Cs site symmetry.