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Geometry, stability and aromaticity of β-diketiminate-coordinated alkaline-earth compounds
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作者 Yuanyuan Li Haohua Chen +2 位作者 Lingbo Qu Ruopeng Bai Yu Lan 《Chinese Chemical Letters》 SCIE CAS CSCD 2019年第12期2249-2253,共5页
Alkaline-earth(Ae) metals have attracted a wealth of interdependent research from synthetic chemists.In Ae-catalyzed organometallic reactions,β-diketiminate is a typical ligand used to stabilize Ae catalysts by formi... Alkaline-earth(Ae) metals have attracted a wealth of interdependent research from synthetic chemists.In Ae-catalyzed organometallic reactions,β-diketiminate is a typical ligand used to stabilize Ae catalysts by forming six-membered rings comprising Ae metals.Herein,studies focusing on the configuration of β-diketiminate-coordinated Ae compounds observed that the C-C and C-N bonds are homogeneous and unchanged.Furthermore,energetic studies observed that the formation of the Ae-incorporated sixmembered rings results in enhanced stability of>20 kcal/mol.The nucleus-independent chemical shifts,anisotropy of the induced current density,and molecular orbital analyses demonstrated the nonaromaticity of the β-diketiminate-coordinated Ae compounds.The improved stability of these compounds can be explained by the delocalization of the π electrons derived from the β-diketiminate moiety. 展开更多
关键词 β-diketiminate-coordinated Alkaline-earth compounds Theoretical study AROMATICITY STABILITY
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