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Issue 34, 2007
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Coordination and solvation of copper ion: infrared photodissociation spectroscopy of Cu+(NH3)n (n = 3–8)

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Abstract

Coordination and solvation structures of the Cu+(NH3)n ions with n = 3–8 are studied by infrared photodissociation spectroscopy in the NH-stretch region with the aid of density functional theory calculations. Hydrogen bonding between NH3 molecules is absent for n = 3, indicating that all NH3 molecules are bonded directly to Cu+ in a tri-coordinated form. The first sign of hydrogen bonding is detected at n = 4 through frequency reduction and intensity enhancement of the infrared transitions, implying that at least one NH3 molecule is placed in the second solvation shell. The spectra of n = 4 and 5 suggest the coexistence of multiple isomers, which have different coordination numbers (2, 3, and 4) or different types of hydrogen-bonding configurations. With increasing n, however, the di-coordinated isomer is of growing importance until becoming predominant at n = 8. These results signify a strong tendency of Cu+ to adopt the twofold linear coordination, as in the case of Cu+(H2O)n.

Graphical abstract: Coordination and solvation of copper ion: infrared photodissociation spectroscopy of Cu+(NH3)n (n = 3–8)

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Publication details

The article was received on 10 Apr 2007, accepted on 21 Jun 2007 and first published on 09 Jul 2007


Article type: Paper
DOI: 10.1039/B705267G
Citation: Phys. Chem. Chem. Phys., 2007,9, 4793-4802

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    Coordination and solvation of copper ion: infrared photodissociation spectroscopy of Cu+(NH3)n (n = 3–8)

    K. Inoue, K. Ohashi, T. Iino, K. Judai, N. Nishi and H. Sekiya, Phys. Chem. Chem. Phys., 2007, 9, 4793
    DOI: 10.1039/B705267G

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