Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4)
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Coordination and solvation structures of the Cu+(H2O)n ions with n = 1–4 are studied by infrared photodissociation spectroscopy and density functional theory calculations. Hydrogen bonding between H2O molecules is detected in Cu+(H2O)3 and Cu+(H2O)4 through a characteristic change in the position and intensity of OH-stretching transitions. The third and fourth waters prefer hydrogen-bonding sites in the second solvation shell rather than direct coordination to Cu+. The infrared spectroscopy verifies that the gas-phase coordination number of Cu+ in Cu+(H2O)n is two and the resulting linearly coordinated structure acts as the core of further solvation processes.
This is a postprint of an article published by Elsevier B.V. in Chemical Physics Letters, 2006, available online: http://doi.org/10.1016/j.cplett.2006.06.036
This work was supported in part by “Nanotechnology Support Project” and Grant-in-Aid for Scientific Research (No. 17550014) of the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan.
Chemical Physics Letters
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(c) 2006 Elsevier B.V. All rights reserved.
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