TY - JOUR
T1 - Coordinatively unsaturated cobalt ion in Co+(H 2O)n (n = 4-6) probed with infrared photodissociation spectroscopy
AU - Furukawa, Kazuki
AU - Ohashi, Kazuhiko
AU - Koga, Nobuhiro
AU - Imamura, Toshitaka
AU - Judai, Ken
AU - Nishi, Nobuyuki
AU - Sekiya, Hiroshi
N1 - Funding Information:
This work was supported in part by the Joint Studies Program (2009) of the Institute for Molecular Science and by the Grant-in-Aid for Scientific Research on Priority Area (477) ‘Molecular Science for Supra Functional Systems–Development of Advanced Methods for Exploring Elementary Processes’ (No. 19056005) and for Scientific Research (C) (No. 22550016) of the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan.
PY - 2011/5/27
Y1 - 2011/5/27
N2 - 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+(H 2O)3, which exposes empty coordination sites for additional H2O ligands. Nevertheless, the IR spectrum of Co +(H2O)4 indicates that the fourth H 2O 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.
AB - 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+(H 2O)3, which exposes empty coordination sites for additional H2O ligands. Nevertheless, the IR spectrum of Co +(H2O)4 indicates that the fourth H 2O 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.
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U2 - 10.1016/j.cplett.2011.04.058
DO - 10.1016/j.cplett.2011.04.058
M3 - Article
AN - SCOPUS:79956222736
SN - 0009-2614
VL - 508
SP - 202
EP - 206
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -