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侧基键合的二氮合铍配合物

Side-On Bonded Beryllium Dinitrogen Complexes.

作者信息

Deng Guohai, Pan Sudip, Wang Guanjun, Zhao Lili, Zhou Mingfei, Frenking Gernot

机构信息

Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University, Shanghai, 200438, China.

Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University, Nanjing, 211816, China.

出版信息

Angew Chem Int Ed Engl. 2020 Jun 22;59(26):10603-10609. doi: 10.1002/anie.202002621. Epub 2020 Apr 14.

Abstract

The preparation and spectroscopic identification of the complexes NNBe(η -N ) and (NN) Be(η -N ) and the energetically higher lying isomers Be(NN) and Be(NN) are reported. NNBe(η -N ) and (NN) Be(η -N ) are the first examples of covalently side-on bonded N adducts of a main-group element. The analysis of the electronic structure using modern methods of quantum chemistry suggests that NNBe(η -N ) and (NN) Be(η -N ) should be classified as π complexes rather than metalladiazirines.

摘要

报道了配合物NNBe(η -N )、(NN) Be(η -N )以及能量较高的异构体Be(NN)和Be(NN)的制备及其光谱鉴定。NNBe(η -N )和(NN) Be(η -N )是主族元素通过共价侧基键合的N加合物的首例。采用现代量子化学方法对电子结构进行分析表明,NNBe(η -N )和(NN) Be(η -N )应归类为π配合物而非金属二氮杂环丙烷。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7786/7317369/a5c3515874ca/ANIE-59-10603-g001.jpg

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