6,6'-(((2-羟乙基)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) 改性的第 4 族金属醇盐的合成、表征和计算建模,Journal of Coordination Chemistry

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6,6'-(((2-羟乙基)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) 改性的第 4 族金属醇盐的合成、表征和计算建模
Journal of Coordination Chemistry ( IF 2.2 ) Pub Date : 2020-05-02 , DOI: 10.1080/00958972.2020.1786074
Timothy J. Boyle ₁ , Jessica M. Rimsza ₂ , Joshua Farrell ₃ , Xavier J. Robinson ₁ , Fernando Guerrero ₁ , Roger Cramer ₄ , Diana Perales ₁ , Peter Renehan ₃

Affiliation

摘要三齿烷氧基配体 6,6'-(((2-羟乙基)azanediyl)bis(methylene)) bis(2,4-di-tert-butylphenol) (称为 H3-AM-DBP2) 与基团的配位行为之前发现比例为 1:1 的 4 种金属醇盐 ([M(OR)4]) 生成 [(ONep)Ti(κ 4 (O,O',O”,N)-AM-DBP2)] 和 [ (OR)Zr(κ 4 (μ-O,O',O”,N)-AM-DBP2)]2 (M = Zr, Hf)。其他研究表明，将化学计量比增加到 1:2 H3-AM-DBP2:[M(OR)4] 导致 [(ONEp)Ti(κ 4 (μ-O,O',O”,N) 的分离)-AM-DBP2)(μ-ONep)Ti(ONEp)3] (1)•tol, [(OBu t)Zr(κ 4 (μ-O,O',O”,N)-AM-DBP2) (μ-OBu t)Zr(OBu t)3] (2) 和 [(OBu t)Hf(κ 4 (μ-O,O',O”,N)-AM-DBP2)(μ-OBu t) Hf(OBu t)3] (3)。1-3 的不对称双核复合物类似于 [M(OR)4] 部分与“(OR)M(κ 4 (O,O',O”,N)-AM-DBP2)”片段的螯合。由 AM-DBP2 配体络合的金属具有伪八面体几何形状，而另一种金属对 1 采用中间三角双锥 (TBP-5)/方形基锥 (SBP-5) 几何形状，但对 2 和 2 均采用扭曲的 SBP-5 3. 1-3的结构和性质通过计算模型分析并通过标准分析方法充分表征。图形概要

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Synthesis, characterization, and computational modeling of 6,6'-(((2-hydroxyethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol) modified group 4 metal alkoxides

Abstract The coordination behavior of the tridentate alkoxy ligand 6,6'-(((2-hydroxyethyl)azanediyl)bis(methylene)) bis(2,4-di-tert-butylphenol) (termed H3-AM-DBP2) with group 4 metal alkoxides ([M(OR)4]) in a 1:1 ratio was previously found to generate [(ONep)Ti(κ 4 (O,O’,O”,N)-AM-DBP2)] and [(OR)Zr(κ 4 (μ-O,O’,O”,N)-AM-DBP2)]2 (M = Zr, Hf). Additional studies revealed that increasing the stoichiometric ratio to 1:2 H3-AM-DBP2:[M(OR)4] led to the isolation of [(ONep)Ti(κ 4 (μ-O,O’,O”,N)-AM-DBP2)(μ-ONep)Ti(ONep)3] (1)•tol, [(OBu t)Zr(κ 4 (μ-O,O’,O”,N)-AM-DBP2)(μ-OBu t)Zr(OBu t)3] (2) and [(OBu t)Hf(κ 4 (μ-O,O’,O”,N)-AM-DBP2)(μ-OBu t)Hf(OBu t)3] (3). The asymmetric dinuclear complexes of 1-3 resemble the chelation of a [M(OR)4] moiety to a “(OR)M(κ 4 (O,O’,O”,N)-AM-DBP2)” fragment. The metal complexed by the AM-DBP2 ligand has a pseudo octahedral geometry while the other metal adopts an intermediate trigonal bipyramidal (TBP-5)/square base pyramidal (SBP-5) geometry for 1 but a distorted SBP-5 for both 2 and 3. The structure and properties of 1-3 were analyzed by computational modeling and fully characterized by standard analytical methods. Graphical Abstract

更新日期：2020-05-02

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