pentanediolates decompose on heating to form Al2O3 and ZrO2. Unlike the mononuclear Al(acac)3 and Zr(acac)4 derivatives (acac = acetylacetonate), the formation of aggregates with the 2,4-pd ligand suggests that the latter has more coordinative flexibility. The geometries of several model aluminum complexes with oxygen donor ligands were studied with density functional theory methods. The optimized structures
当
2,4-戊二醇(2,4-H 2 pd)去质子化时,所得的二价阴离子(2,4-pd)充当“混合”
配体的一种,即具有β-结构特征的醇盐二酮。
2,4-戊二醇的Al(O-发生反应小号-Bu)3和Zr(O-我-Pr)4以形成螯合多核络合物。首先分离出含铝产物,为不溶性[Al(2,4-pd)(2,4-Hpd)] n;升华后,生成了多
金属物种的烃溶性混合物。质谱证据表明Al 4(2,4-pd)6和Al 5(2,4-pd)7(2,4-Hpd)存在。
锆配合物被分离为加合物[Zr(2,4-pd)2 ] 2 ·(2,4-H 2 pd)。
戊二醇化物在加热时分解以形成Al 2 O 3和ZrO 2。与单核Al(acac)3和Zr(acac)4衍
生物(acac =
乙酰丙酮酸酯)不同,具有2,4-pd
配体的聚集体的形成表明后者具有更高的配位柔性。用密度泛函理论方法研究了几种具有供氧体
配体的铝模型配合物的几何形状。优化的