3,5-Dimethyl and 3,5-Di-tert-butylpyrazolato Complexes with Alkali Metals: Monomeric, Dimeric, Cluster, and 1D Chain Structures

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• 作者：Sara-&Aacute ; ngelica Corté ; s-Llamas ; Ramó ; n Hern&aacute ; ndez-Lamoneda ; Miguel-&Aacute ; ngel Vel&aacute ; zquez-Carmona ; Miguel-Angel Muñ ; oz-Hern&aacute ; ndez ; and Rubé ; n A. Toscano
• 刊名：Inorganic Chemistry
• 出版年：2006
• 出版时间：January 9, 2006
• 年：2006
• 卷：45
• 期：1
• 页码：286 - 294
• 全文大小：179K
• 年卷期：v.45,no.1(January 9, 2006)
• ISSN：1520-510X

文摘

The pyrazolato complexes [(Me₂pz)(THF)Li] (1), [(^tBu₂pz)Li]₄ (2), [(^tBu₂pzH)(^tBu₂pz)Li]₂ (2a), [(Me₂pz)Na] (3),[(^tBu₂pz)Na](4), [(^tBu₂pz)₆(OH)Na₇] (4a), [(^tBu₂pz)(18-crown-6)Na] (4b), and [(^tBu₂pz)K] (5) were synthesized bymetalation reactions between R₂pzH (R = Me, ^tBu) and alkyllithium, elemental sodium, or potassium. All thecomplexes were characterized by spectroscopic methods and microanalysis, and in addition, the crystal structuresof 2, 2a, 3, 4a, 4b, and 5 were obtained by single-crystal X-ray diffraction. They show monomeric, dimeric, cluster,and 1D chain structures in the solid state. Ab initio calculations on the structure and stabilities of the monomericpzM complexes were performed at the MP2 level of theory showing good agreement with the coordination preferencesof the pyrazolato ligand to a particular alkali ion.