structures even in THF. The free energies of model dimeric [(DBP)Mg(μ-OMe)(Sub)]2 and monomeric (DBP)Mg(OMe)(Sub)2 products on treatment of [(DBP)Mg(μ-OMe)(THF)]2 with a series of σ-electron donors (Sub) have been estimated by DFT calculations. These results demonstrate that the substitution of THF by Sub in a dimeric molecule is an energetically allowed process, whereas the dissociation of dimers is energetically
通过用各种醇处理(
BHT)MgBu(THF)2已经合成了许多杂合的
2,6-二叔丁基-4-甲基苯酚镁(
BHT)
镁配合物。配合物的分子结构已经通过X射线衍射确定。[(
BHT)Mg(μ-OBn)(THF)] 2(3)和[(
BHT)Mg(μ-O-叔-BuC 6 H 4)(THF)] 2(4)中的
镁配位数为等于从
乙醇酸和
乳酸酯形成配合物4,[(
BHT)的Mg(μ-OCH 2 COOEt烷基)(THF)] 2(5)和[(
BHT)的Mg(μ-OCH(CH 3)COOCH 2COO t Bu)(THF)] 2(6)含有带有五配位
镁的螯合物碎片。化合物3–6包含与
镁原子配位的THF分子。络合物(
BHT)Mg [μ-O(CH 2)3 CON(CH 3)2 ]} 2(7)没有显示出与THF形成加合物的任何趋势。已经通过实验确定了配合物3和5是
丙交酯聚合的高活性催化剂。4的活动相当低,并且复杂7表现出中等生产力。根据
DOSY