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

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作者：
Qian Wang
Sudip Pan
Shujun Lei
Jiaye Jin
Guohai Deng
Guanjun Wang
Lili Zhao
Mingfei Zhou
Gernot Frenking
机构：
[1] Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials,Department of Chemistry, Collaborative Innovation Center of Chemistry for Energy Materials
[2] Fudan University,Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering
[3] Jiangsu National Synergetic Innovation Center for Advanced Materials,Fachbereich Chemie
[4] Nanjing Tech University,undefined
[5] Philipps-Universität Marburg,undefined
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Nature Communications | / 10卷
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摘要：
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).
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