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

School of Chemistry and Moleculai Engineering

Research output: Contribution to journal › Article › peer-review

85 Scopus citations

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 (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).

Original language	English
Article number	3375
Journal	Nature Communications
Volume	10
Issue number	1
DOIs	https://doi.org/10.1038/s41467-019-11323-5
State	Published - 1 Dec 2019

Access to Document

10.1038/s41467-019-11323-5

Cite this

@article{f9e701b5302e4d399c7b2d4c82acfbb7,

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

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).",

author = "Qian Wang and Sudip Pan and Shujun Lei and Jiaye Jin and Guohai Deng and Guanjun Wang and Lili Zhao and Mingfei Zhou and Gernot Frenking",

note = "Publisher Copyright: {\textcopyright} 2019, The Author(s).",

year = "2019",

month = dec,

day = "1",

doi = "10.1038/s41467-019-11323-5",

language = "英语",

volume = "10",

journal = "Nature Communications",

issn = "2041-1723",

publisher = "Nature Research",

number = "1",

}

TY - JOUR

T1 - Octa-coordinated alkaline earth metal–dinitrogen complexes M(N2)8 (M=Ca, Sr, Ba)

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).

UR - http://www.scopus.com/inward/record.url?scp=85069943759&partnerID=8YFLogxK

U2 - 10.1038/s41467-019-11323-5

DO - 10.1038/s41467-019-11323-5

M3 - 文章

C2 - 31358748

AN - SCOPUS:85069943759

SN - 2041-1723

VL - 10

JO - Nature Communications

JF - Nature Communications

IS - 1

M1 - 3375

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this