Vibrational and electronic spectra of Con+(CH3OH)3 (n = 1-3) measured by infrared photodissociation spectroscopy

Shinichi Hirabayashi, Masahiko Ichihashi, Yoshiyuki Kawazoe, Tamotsu Kondow

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3 Citations (Scopus)

Abstract

Photodissociation spectra of Con+(CH3OH)3 (n = 1-3) were measured in the region of 2800-6800 cm-1. A broad near-infrared (-IR) absorption was observed in the spectra of n = 2 and 3, in addition to the vibrational absorption in the mid-IR region. With the aid of a calculation based on time-dependent density functional theory (TD-DFT), the near-IR absorption is assigned to the electronic transitions between the levels located near the highest occupied and the lowest unoccupied levels of Con+(CH3OH)3, in which one or two methanol molecules dissociate to CH3 and OH fragments and the fragments adsorb on the bridge sites of Con+.

Original languageEnglish
Pages (from-to)19-23
Number of pages5
JournalChemical Physics Letters
Volume490
Issue number1-3
DOIs
Publication statusPublished - 2010 Apr 16

ASJC Scopus subject areas

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

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