Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4)

Takuro Iino, Kazuhiko Ohashi, Yutaka Mune, Yoshiya Inokuchi, Ken Judai, Nobuyuki Nishi, Hiroshi Sekiya

研究成果: Contribution to journalArticle

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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.

ジャーナルChemical Physics Letters
出版物ステータス出版済み - 8 18 2006

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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