Author/Authors :
Furukawa، نويسنده , , Kazuki and Ohashi، نويسنده , , Kazuhiko and Koga، نويسنده , , Nobuhiro and Imamura، نويسنده , , Toshitaka and Judai، نويسنده , , Ken and Nishi، نويسنده , , Nobuyuki and Sekiya، نويسنده , , Hiroshi، نويسنده ,
Abstract :
The hydrated cobalt ions, Co+(H2O)n (n = 4–6), are studied with the infrared (IR) photodissociation spectroscopy in the OH-stretch region and density functional theory calculations. The calculations predict a T-shaped coordination structure for Co+(H2O)3, which exposes empty coordination sites for additional H2O ligands. Nevertheless, the IR spectrum of Co+(H2O)4 indicates that the fourth H2O prefers to occupy the second shell through H-bonding rather than coordinate directly to Co+. A comparison between the experimental and theoretical IR spectra suggests that the T-shaped coordination remains intact in the n = 4–6 ions, leaving the direct coordination sites unoccupied.
