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

Research output: Contribution to journalArticle

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Abstract

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.

Original languageEnglish
Pages (from-to)24-28
Number of pages5
JournalChemical Physics Letters
Volume427
Issue number1-3
DOIs
Publication statusPublished - Aug 18 2006

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Photodissociation
Solvation
photodissociation
solvation
Infrared radiation
Hydrogen bonds
hydrogen
coordination number
Stretching
Density functional theory
Infrared spectroscopy
Gases
infrared spectroscopy
Spectroscopy
Ions
vapor phases
density functional theory
Molecules
Water
water

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4). / Iino, Takuro; Ohashi, Kazuhiko; Mune, Yutaka; Inokuchi, Yoshiya; Judai, Ken; Nishi, Nobuyuki; Sekiya, Hiroshi.

In: Chemical Physics Letters, Vol. 427, No. 1-3, 18.08.2006, p. 24-28.

Research output: Contribution to journalArticle

Iino, Takuro ; Ohashi, Kazuhiko ; Mune, Yutaka ; Inokuchi, Yoshiya ; Judai, Ken ; Nishi, Nobuyuki ; Sekiya, Hiroshi. / Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4). In: Chemical Physics Letters. 2006 ; Vol. 427, No. 1-3. pp. 24-28.
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