Octa-coordinated alkaline earth metal–dinitrogen complexes M(N2)8 (M=Ca, Sr, Ba)

Qian Wang, Sudip Pan, Shujun Lei, Jiaye Jin, Guohai Deng, Guanjun Wang, Lili Zhao, Mingfei Zhou () and Gernot Frenking ()
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Qian Wang: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Sudip Pan: Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University
Shujun Lei: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Jiaye Jin: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Guohai Deng: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Guanjun Wang: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Lili Zhao: Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University
Mingfei Zhou: Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University
Gernot Frenking: Jiangsu National Synergetic Innovation Center for Advanced Materials, Nanjing Tech University

Nature Communications, 2019, vol. 10, issue 1, 1-8

Abstract: Abstract We report the isolation and spectroscopic identification of the eight-coordinated alkaline earth metal–dinitrogen complexes M(N2)8 (M=Ca, Sr, Ba) possessing cubic (Oh) symmetry in a low-temperature neon matrix. The analysis of the electronic structure reveals that the metal-N2 bonds are mainly due to [M(dπ)]→(N2)8 π backdonation, which explains the observed large red-shift in N-N stretching frequencies. The adducts M(N2)8 have a triplet (3A1g) electronic ground state and exhibit typical bonding features of transition metal complexes obeying the 18-electron rule. We also report the isolation and bonding analysis of the charged dinitrogen complexes [M(N2)8]+ (M=Ca, Sr).

Date: 2019
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DOI: 10.1038/s41467-019-11323-5

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