Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner

Ka Chun Au-Yeung; Dengmengfei Xiao; Wei Chih Shih; Hsiu Wen Yang; Yuh Sheng Wen; Glenn P.A. Yap; Wen Ching Chen; Lili Zhao; Tiow Gan Ong

doi:10.1002/chem.202002795

Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner

Ka Chun Au-Yeung, Dengmengfei Xiao, Wei Chih Shih, Hsiu Wen Yang, Yuh Sheng Wen, Glenn P.A. Yap, Wen Ching Chen, Lili Zhao, Tiow Gan Ong

化学与分子工程学院

科研成果: 期刊稿件 › 文章 › 同行评审

11 引用（Scopus）

摘要

The reaction of Pd(OAc)₂ with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramolecular C(sp³)−H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd−Pd, Pd−Au, and Ni−Au provides further structural evidence for this proof-of-concept in selective installation. Structural analysis is supported by computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.

源语言	英语
页（从-至）	17350-17355
页数	6
期刊	Chemistry - A European Journal
卷	26
期	72
DOI	https://doi.org/10.1002/chem.202002795
出版状态	已出版 - 23 12月 2020

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title = "Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner",

abstract = "The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramolecular C(sp3)−H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd−Pd, Pd−Au, and Ni−Au provides further structural evidence for this proof-of-concept in selective installation. Structural analysis is supported by computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.",

keywords = "carbodicarbene, carbone, double dative bond, metal–metal interaction, palladium",

author = "Au-Yeung, {Ka Chun} and Dengmengfei Xiao and Shih, {Wei Chih} and Yang, {Hsiu Wen} and Wen, {Yuh Sheng} and Yap, {Glenn P.A.} and Chen, {Wen Ching} and Lili Zhao and Ong, {Tiow Gan}",

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T2 - geminal-Bimetallic Coordination in Selective Manner

AU - Au-Yeung, Ka Chun

AU - Xiao, Dengmengfei

AU - Shih, Wei Chih

AU - Yang, Hsiu Wen

AU - Wen, Yuh Sheng

AU - Yap, Glenn P.A.

AU - Chen, Wen Ching

AU - Zhao, Lili

AU - Ong, Tiow Gan

PY - 2020/12/23

Y1 - 2020/12/23

N2 - The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramolecular C(sp3)−H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd−Pd, Pd−Au, and Ni−Au provides further structural evidence for this proof-of-concept in selective installation. Structural analysis is supported by computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.

AB - The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramolecular C(sp3)−H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd−Pd, Pd−Au, and Ni−Au provides further structural evidence for this proof-of-concept in selective installation. Structural analysis is supported by computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.

KW - carbodicarbene

KW - carbone

KW - double dative bond

KW - metal–metal interaction

KW - palladium

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DO - 10.1002/chem.202002795

M3 - 文章

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AN - SCOPUS:85093112877

SN - 0947-6539

VL - 26

SP - 17350

EP - 17355

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

IS - 72

ER -

Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner

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