Infrared Photodissociation Spectroscopy of Mass-Selected Homoleptic Cobalt Carbonyl Cluster Cations in the Gas Phase

详细信息    查看全文

• 作者：Jieming Cui ; Xiaojie Zhou ; Guanjun Wang ; Chaoxian Chi ; Zhen Hua Li ; Mingfei Zhou
• 刊名：Journal of Physical Chemistry A
• 出版年：2014
• 出版时间：April 17, 2014
• 年：2014
• 卷：118
• 期：15
• 页码：2719-2727
• 全文大小：399K
• 年卷期：v.118,no.15(April 17, 2014)
• ISSN：1520-5215

文摘

Infrared spectra of mass-selected homoleptic cobalt carbonyl cluster cations including dinuclear Co₂(CO)₈⁺ and Co₂(CO)₉⁺, trinuclear Co₃(CO)₁₀⁺ and Co₃(CO)₁₁⁺, as well as tetranuclear Co₄(CO)₁₂⁺ are measured via infrared photodissociation spectroscopy in the carbonyl stretching frequency region. The geometric structures of these complexes are determined by comparison of the experimental spectra with those calculated by density functional theory. The Co₂(CO)₈⁺ cation is characterized to have a Co鈥揅o bonded structure with C_s symmetry involving a bridging CO ligand. The Co₂(CO)₉⁺ cation is determined to be a mixture of the CO-tagged Co₂(CO)₈⁺鈥揅O complex and the Co(CO)₅⁺鈥揅o(CO)₄ ion鈥搈olecular complex. The Co₃(CO)₁₀⁺ cation is the coordination-saturated trinuclear cluster, which is characterized to have a triangle Co₃ core with C₂ symmetry involving two edge-bridging and eight terminal CO ligands. The Co₃(CO)₁₁⁺ cation is a weakly bound complex involving a Co₃(CO)₁₀⁺ core ion. The Co₄(CO)₁₂⁺ cluster cation is deduced to have a tetrahedral Co₄⁺ core structure with three edge-bridging and nine terminal carbonyls.