Dinitrogen Functionalization Affording Structurally Well-Defined Cobalt Diazenido Complexes

Mingdong Zhong; Xianlu Cui; Botao Wu; Gao Xiang Wang; Wen Xiong Zhang; Junnian Wei; Lili Zhao; Zhenfeng Xi

doi:10.31635/ccschem.021.202100945

Dinitrogen Functionalization Affording Structurally Well-Defined Cobalt Diazenido Complexes

Mingdong Zhong, Xianlu Cui, Botao Wu, Gao Xiang Wang, Wen Xiong Zhang, Junnian Wei, Lili Zhao, Zhenfeng Xi

化学与分子工程学院

科研成果: 期刊稿件 › 文章 › 同行评审

18 引用（Scopus）

摘要

Cobalt-bis(dinitrogen) complexes [LCo(N₂)₂]⁻ (3,4) with simple and commercially available bidentate phosphine ligands (L: Cy₂PCH₂CH₂PCy₂) were synthesized and structurally characterized. Further N₂ functionalization by treating the complex 3b with ⁱPr₃SiCl afforded the first structurally characterized cobalt diazenido complex 5. These complexes 3-5 were found to be effective catalysts for the transformation of N₂ into N(SiMe₃)₃. The electronic structure of the cobalt diazenido complex 5 is supported by quantum computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with the natural orbitals for chemical valence (NOCV) method.

源语言	英语
页（从-至）	532-539
页数	8
期刊	CCS Chemistry
卷	4
期	2
DOI	https://doi.org/10.31635/ccschem.021.202100945
出版状态	已出版 - 2022

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title = "Dinitrogen Functionalization Affording Structurally Well-Defined Cobalt Diazenido Complexes",

abstract = "Cobalt-bis(dinitrogen) complexes [LCo(N2)2]− (3,4) with simple and commercially available bidentate phosphine ligands (L: Cy2PCH2CH2PCy2) were synthesized and structurally characterized. Further N2 functionalization by treating the complex 3b with iPr3SiCl afforded the first structurally characterized cobalt diazenido complex 5. These complexes 3-5 were found to be effective catalysts for the transformation of N2 into N(SiMe3)3. The electronic structure of the cobalt diazenido complex 5 is supported by quantum computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with the natural orbitals for chemical valence (NOCV) method.",

keywords = "Bidentate phosphine ligand, Cobalt diazenido complex, Cobalt-bis (dinitrogen) complex, Dinitrogen functionalization, Dinitrogen silylation, EDA-NOCV method",

author = "Mingdong Zhong and Xianlu Cui and Botao Wu and Wang, {Gao Xiang} and Zhang, {Wen Xiong} and Junnian Wei and Lili Zhao and Zhenfeng Xi",

year = "2022",

doi = "10.31635/ccschem.021.202100945",

language = "英语",

volume = "4",

pages = "532--539",

journal = "CCS Chemistry",

issn = "2096-5745",

publisher = "Chinese Chemical Society",

number = "2",

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TY - JOUR

T1 - Dinitrogen Functionalization Affording Structurally Well-Defined Cobalt Diazenido Complexes

AU - Zhong, Mingdong

AU - Cui, Xianlu

AU - Wu, Botao

AU - Wang, Gao Xiang

AU - Zhang, Wen Xiong

AU - Wei, Junnian

AU - Zhao, Lili

AU - Xi, Zhenfeng

PY - 2022

Y1 - 2022

N2 - Cobalt-bis(dinitrogen) complexes [LCo(N2)2]− (3,4) with simple and commercially available bidentate phosphine ligands (L: Cy2PCH2CH2PCy2) were synthesized and structurally characterized. Further N2 functionalization by treating the complex 3b with iPr3SiCl afforded the first structurally characterized cobalt diazenido complex 5. These complexes 3-5 were found to be effective catalysts for the transformation of N2 into N(SiMe3)3. The electronic structure of the cobalt diazenido complex 5 is supported by quantum computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with the natural orbitals for chemical valence (NOCV) method.

AB - Cobalt-bis(dinitrogen) complexes [LCo(N2)2]− (3,4) with simple and commercially available bidentate phosphine ligands (L: Cy2PCH2CH2PCy2) were synthesized and structurally characterized. Further N2 functionalization by treating the complex 3b with iPr3SiCl afforded the first structurally characterized cobalt diazenido complex 5. These complexes 3-5 were found to be effective catalysts for the transformation of N2 into N(SiMe3)3. The electronic structure of the cobalt diazenido complex 5 is supported by quantum computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with the natural orbitals for chemical valence (NOCV) method.

KW - Bidentate phosphine ligand

KW - Cobalt diazenido complex

KW - Cobalt-bis (dinitrogen) complex

KW - Dinitrogen functionalization

KW - Dinitrogen silylation

KW - EDA-NOCV method

UR - http://www.scopus.com/inward/record.url?scp=85123846629&partnerID=8YFLogxK

U2 - 10.31635/ccschem.021.202100945

DO - 10.31635/ccschem.021.202100945

M3 - 文章

AN - SCOPUS:85123846629

SN - 2096-5745

VL - 4

SP - 532

EP - 539

JO - CCS Chemistry

JF - CCS Chemistry

IS - 2

ER -

Dinitrogen Functionalization Affording Structurally Well-Defined Cobalt Diazenido Complexes

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