Citation: Li Yuanyuan, Chen Haohua, Qu Lingbo, Bai Ruopeng, Lan Yu. Geometry, stability and aromaticity of β-diketiminate-coordinated alkaline-earth compounds[J]. Chinese Chemical Letters, ;2019, 30(12): 2249-2253. doi: 10.1016/j.cclet.2019.06.001 shu

Geometry, stability and aromaticity of β-diketiminate-coordinated alkaline-earth compounds

Li Yuanyuan ^a,b,d ,
Chen Haohua ^c ,
Qu Lingbo ^d ,
Bai Ruopeng ^c,*, ,
Lan Yu ^c,d,*,

a.
Department of Biological and Chemical Engineering, Chongqing University of Education, Chongqing 400067, China
b.
Cooperative Innovation Center of Lipid Resources and Children's Daily Chemicals, Chongqing University of Education, Chongqing 400067, China
c.
School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331, China
d.
College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450006, China

ruopeng@cqu.edu.cn

lanyu@cqu.edu.cn

Received Date: 8 April 2019
Revised Date: 20 May 2019
Accepted Date: 3 June 2019
Available Online: 3 December 2019

Figures(8)

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.
- β-Diketiminate-coordinated,
- Alkaline-earth compounds,
- Theoretical study,
- Aromaticity,
- Stability
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