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; Gernot Frenking

doi:10.1038/s41467-019-11323-5

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, Gernot Frenking

化学与分子工程学院

科研成果: 期刊稿件 › 文章 › 同行评审

85 引用（Scopus）

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 (O_h) symmetry in a low-temperature neon matrix. The analysis of the electronic structure reveals that the metal-N₂ bonds are mainly due to [M(d_π)]→(N₂)₈ π backdonation, which explains the observed large red-shift in N-N stretching frequencies. The adducts M(N₂)₈ have a triplet (³A_1g) 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).

源语言	英语
文章编号	3375
期刊	Nature Communications
卷	10
期	1
DOI	https://doi.org/10.1038/s41467-019-11323-5
出版状态	已出版 - 1 12月 2019

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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).",

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AU - Wang, Qian

AU - Pan, Sudip

AU - Lei, Shujun

AU - Jin, Jiaye

AU - Deng, Guohai

AU - Wang, Guanjun

AU - Zhao, Lili

AU - Zhou, Mingfei

AU - Frenking, Gernot

PY - 2019/12/1

Y1 - 2019/12/1

N2 - 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).

AB - 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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SN - 2041-1723

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ER -

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

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