Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through -![]()
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- 作者：Sara A. Cortes-Llamas ; Julio M. Herná ; ndez-Pé ; rez ; Minhhuy Hô ; and Miguel-Á ; ngel Muñ ; oz-Herná ; ndez
- 刊名：Organometallics
- 出版年：2006
- 出版时间：January 30, 2006
- 年：2006
- 卷：25
- 期：3
- 页码：588 - 595
- 全文大小：189K
- 年卷期：v.25,no.3(January 30, 2006)
- ISSN：1520-6041
文摘
The complexes [(
1:1-ind)(
-M)R2]2 (R = Me, M = Ga (1); R = Me, M = Al (2); R = Et, M = B(3)) were prepared by treatment of indazole with MR3 in toluene. These have dimeric molecular structures,with the indazolato ligands coordinated in a 1:1 fashion. In solution, complexes 1 and 2 show a mixtureof syn and anti isomers in a 3:5 ratio, respectively; however, in the solid state the anti isomers can beselectively crystallized in toluene and the syn isomers in benzene. These complexes constitute the firstexamples of organoaluminum and organogallium complexes for which both isomers observed in solutioncan be selectively crystallized. In contrast with 1 and 2, for boron complex 3 only the anti isomer wasobserved in solution and in the solid state. Results from theoretical calculations at the B3LYP/6-31G*level and NBO analyses were performed to gain insight into the nature of the metal-ligand bond andinto the question of whether 
- interactions in the crystal packing play an important role in the molecularstructure of the isomer crystallized.
1:1-ind)(-M)R2]2 (R = Me, M = Ga (1); R = Me, M = Al (2); R = Et, M = B(3)) were prepared by treatment of indazole with MR3 in toluene. These have dimeric molecular structures,with the indazolato ligands coordinated in a 1:1 fashion. In solution, complexes 1 and 2 show a mixtureof syn and anti isomers in a 3:5 ratio, respectively; however, in the solid state the anti isomers can beselectively crystallized in toluene and the syn isomers in benzene. These complexes constitute the firstexamples of organoaluminum and organogallium complexes for which both isomers observed in solutioncan be selectively crystallized. In contrast with 1 and 2, for boron complex 3 only the anti isomer wasobserved in solution and in the solid state. Results from theoretical calculations at the B3LYP/6-31G*level and NBO analyses were performed to gain insight into the nature of the metal-ligand bond andinto the question of whether - interactions in the crystal packing play an important role in the molecularstructure of the isomer crystallized.