論文

査読有り
2016年11月

Geometrical Structures of Partially Oxidized Rhodium Cluster Cations, Rh6Om+ (m=4, 5, 6), Revealed by Infrared Multiple Photon Dissociation Spectroscopy

JOURNAL OF PHYSICAL CHEMISTRY A
  • Kohei Koyama
  • ,
  • Toshiaki Nagata
  • ,
  • Satoshi Kudoh
  • ,
  • Ken Miyajima
  • ,
  • Douwe M. M. Huitema
  • ,
  • Valeriy Chernyy
  • ,
  • Joost M. Bakker
  • ,
  • Fumitaka Mafune

120
43
開始ページ
8599
終了ページ
8605
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.jpca.6b08822
出版者・発行元
AMER CHEMICAL SOC

Infrared multiple photon dissociation (IRMPD) spectra of Rh6Om+ (m = 4-10) are obtained in the 300-1000 cm(-1) spectral range using the free electron laser for infrared experiments (FELIX) via dissociation of Rh6Om+ or Rh6Om+-Ar complexes. The spectra are compared with the calculated spectra of several stable geometries obtained by density functional theory (DFT) structural optimization. The spectrum for Rh6O4+ shows prominent bands at 620 and 690 cm(-1) and is assigned to a capped-square pyramidal Rh atom geometry with three bridging O atoms and one O atom in a hollow site. Rh6O5+ displays bands at 460, 630, 690, and 860 cm(-1) and has a prismatic Rh geometry with three bridging O atoms and two O atoms in a hollow site. Rh6O6+ shows three intense bands around 600-750 cm(-1) and multiple weak bands in the range of 350-550 cm(-1). This species has a prismatic Rh geometry with four bridging O atoms and two O atoms in a hollow site. Considering that Rh6Om+ (m <= 3) adopts tetragonal bipyramidal Rh-6 structures, the change at m = 4 to capped bipyramidal and at m = 5 to prismatic geometries results in a reduction of the number of triangular hollow sites. Since NO preferentially binds on a triangular hollow site through the N atom, the geometry change lowers the possibility of NO dissociative adsorption.

Web of Science ® 被引用回数 : 6

リンク情報
DOI
https://doi.org/10.1021/acs.jpca.6b08822
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000387198600013&DestApp=WOS_CPL