2D Copper(II) Complex Built from N-Methyl-1,3-diamino-2-propanolate and Azide Ligands: Structure, Magnetic, and DFT Studies

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• 作者：M. Salah El Fallah ; Ramon Vicente ; Javier Tercero ; Christian Elpelt ; Eva Rentschler ; Xavier Solans ; Mercè ; Font-Bardia
• 刊名：Inorganic Chemistry
• 出版年：2008
• 出版时间：July 21, 2008
• 年：2008
• 卷：47
• 期：14
• 页码：6322 - 6328
• 全文大小：3365K
• 年卷期：v.47,no.14(July 21, 2008)
• ISSN：1520-510X

文摘

The synthesis, structural characterization, and magnetic behavior of a new 2D copper(II) compound with formula {[Cu₂(μ-O₂CMe)(μ-MedapO)(μ_1,1-N₃)₂]_n(CH₃OH)_n} 1, in which MedapOH is N-methyl-1,3-diamino-2-propanol is reported herein. 1 crystallizes in the triclinic system, space group P1s Unicode,Code2000,GNU Unifont">̅, with unit cell parameters a = 6.688(5) Å, b = 10.591(6) Å, c = 12.100(7) Å, α = 113.01(3)°, β = 105.08(4)°, γ = 93.93(3)°, Z = 2. The structure of 1 consists of neutral alternate 1D chains formed by the sequence of [Cu(1)−(μ_1,1-N₃)₂−Cu(1)−(MedapO/acetate)−Cu(2)−(μ_1,1-N₃)₂−Cu2)]. Each dinuclear [Cu(1)−Cu(2)] unit interacts with similar dinuclear units of neighbor chains in basis to large Cu−N(azido) distances to give a 2D arrangement. The magnetic behavior of 1 has been checked giving a net ferromagnetic coupling. The fit of the χ_M versus T data as dinuclear compound affords a J value of 53.0 cm⁻¹ as a consequence of the orbital countercomplementarity phenomenon. The exchange pathways have been justified by density functional calculations.