Ligand Effects on the [Cu(PhO)(PhOH)]+ Redox Active Complex

详细信息    查看全文

• 作者：Elixabete Rezabal ; Lucie Duchkov ; Petr Milko ; Max C. Holthausen ; Jana Roithov
• 刊名：Inorganic Chemistry
• 出版年：2010
• 出版时间：September 20, 2010
• 年：2010
• 卷：49
• 期：18
• 页码：8421-8429
• 全文大小：904K
• 年卷期：v.49,no.18(September 20, 2010)
• ISSN：1520-510X

文摘

Under gas phase conditions, the [Cu(PhO)(PhOH)]⁺ complex is composed of copper(I), a phenoxy radical bound via the oxygen atom, and a phenol bound via the aromatic ring. Effects of additional ligand coordination on the molecular and electronic structure of the complex [Cu(PhO)(PhOH)]⁺ are investigated by mass spectrometric and quantum chemical means for [Cu(PhO)L]⁺ (L = H₂O, CH₃OH, tetrahydrofuran, NH₃, pyridine, imidazole, 1,2-dimethoxyethylene, N,N,N′,N′-tetramethylethylenediamine, pyrrole, and thiophene) and [Cu(PhO)(PhOH)L_n]⁺ (L = H₂O, NH₃, and 4-methylimidazole) models. The nature and number of additional ligands critically influences the spin distribution in the complex, which is sensitively reflected by the phenoxy CO stretching mode.