Chu Terry, Vyboishchikov Sergei F, Gabidullin Bulat M, Nikonov Georgii I
Department of Chemistry, Brock University , 1812 Sir Isaac Brock Way, St. Catharines, Ontario L2S 3A1, Canada.
Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona , Carrer Maria Aurèlia Capmany 69, Girona 17003, Spain.
Inorg Chem. 2017 May 15;56(10):5993-5997. doi: 10.1021/acs.inorgchem.7b00716. Epub 2017 May 2.
The reaction of cyclic urea 1,3-dimethyl-2-imidazolidinone with the aluminum(I) compound NacNacAl (1) gives an unexpected adduct of urea with the isomerized aluminum(III) hydride NacNac'AlH(O═SIMe) (3). A related reaction of 1 with phosphine oxides results in cleavage of the P═O bond and formation of hydroxyl derivatives NacNac'Al(OH)(O═PR) [R = Ph (5) and Et (6)]. Density functional theory calculations revealed that these reactions proceed via a bimolecular mechanism in which either the basic aluminum(I) center or the transient Al═O species deprotonate the methyl group of the NacNac ligand.
环状尿素1,3 - 二甲基 - 2 - 咪唑啉酮与铝（I）化合物NacNacAl（1）反应，生成了一种意想不到的尿素与异构化氢化铝（III）NacNac'AlH(O═SIMe)（3）的加合物。1与氧化膦的相关反应导致P═O键断裂并形成羟基衍生物NacNac'Al(OH)(O═PR) [R = Ph（5）和Et（6）]。密度泛函理论计算表明，这些反应通过双分子机制进行，其中碱性铝（I）中心或瞬态Al═O物种使NacNac配体的甲基去质子化。
