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

被引：79

作者：

Wang, Qian ^{[1
]}

Pan, Sudip ^{[2
]}

Lei, Shujun ^{[1
]}

Jin, Jiaye ^{[1
]}

Deng, Guohai ^{[1
]}

Wang, Guanjun ^{[1
]}

Zhao, Lili ^{[2
]}

Zhou, Mingfei ^{[1
]}

Frenking, Gernot ^{[2
,3
]}

机构：

[1] Fudan Univ, Collaborat Innovat Ctr Chem Energy Mat, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Shanghai 200433, Peoples R China

[2] Nanjing Tech Univ, Jiangsu Natl Synerget Innovat Ctr Adv Mat, Inst Adv Synth, Sch Chem & Mol Engn, Nanjing 211816, Jiangsu, Peoples R China

[3] Philipps Univ Marburg, Fachbereich Chem, Hans Meerwein Str 4, D-35043 Marburg, Germany

来源：

NATURE COMMUNICATIONS | 2019年 / 10卷 / 1期

基金：

中国国家自然科学基金;

关键词：

INFRARED PHOTODISSOCIATION SPECTROSCOPY; DENSITY-FUNCTIONAL CALCULATIONS; IR SPECTROSCOPY; SPECTRA; LA; MODEL;

D O I：

10.1038/s41467-019-11323-5

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

We report the isolation and spectroscopic identification of the eight-coordinated alkaline earth metal-dinitrogen complexes M(N-2)(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-N-2 bonds are mainly due to [M(d(pi))].(N-2)(8) pi backdonation, which explains the observed large red-shift in N-N stretching frequencies. The adducts M(N-2)(8) have a triplet ((3)A(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(N-2)(8)](+) (M=Ca, Sr).

引用

页数：8

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