Journal
CHINESE CHEMICAL LETTERS
Volume 30, Issue 12, Pages 2249-2253Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.cclet.2019.06.001
Keywords
beta-Diketiminate-coordinated; Alkaline-earth compounds; Theoretical study; Aromaticity; Stability
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Funding
- National Natural Science Foundation of China [21822303, 21772020]
- Basic and Frontier Research Project of Chongqing Science and Technology Commission [cstc2018jcyjAX0827]
- Project of Science and Technology Collaborative Innovation Platform Construction of Chongqing University of Education [2017XJPT01]
- Project of Scientific and Technological Research Program of Chongqing Municipal Education Commission [KJQN201801603]
- Cultivation for National Science Foundation of Chongqing University of Education [18GZKP01]
- Children's Research Institute of National Center for Schooling Development Programme and Chongqing University of Education [CRIKT201909]
- Fundamental Research Funds for the Central Universities (Chongqing University) [2018CDPTCG0001/4]
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Alkaline-earth (Ae) metals have attracted a wealth of interdependent research from synthetic chemists. In Ae-catalyzed organometallic reactions, beta-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 fidiketiminate-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 six-membered 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 beta-diketiminate-coordinated Ae compounds. The improved stability of these compounds can be explained by the delocalization of the pi electrons derived from the beta-diketiminate moiety. (C) 2019 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.
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