Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)                         3                         −

Chaoxian Chi; Sudip Pan; Luyan Meng; Mingbiao Luo; Lili Zhao; Mingfei Zhou; Gernot Frenking

doi:10.1002/anie.201813022

Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO) ₃ ⁻

Chaoxian Chi, Sudip Pan, Luyan Meng, Mingbiao Luo, Lili Zhao, Mingfei Zhou, Gernot Frenking

School of Chemistry and Moleculai Engineering

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

68 Scopus citations

Abstract

The alkali metal-nickel carbonyl anions ENi(CO) ₃ ⁻ with E=Li, Na, K, Rb, Cs have been produced and characterized by mass-selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18-electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structures possess C _3v geometry, where the alkali atom is located above a nearly planar Ni(CO) ₃ ⁻ fragment. The analysis of the electronic structure reveals a peculiar bonding situation where the alkali atom is covalently bonded not only to Ni but also to the carbon atoms.

Original language	English
Pages (from-to)	1732-1738
Number of pages	7
Journal	Angewandte Chemie - International Edition
Volume	58
Issue number	6
DOIs	https://doi.org/10.1002/anie.201813022
State	Published - 4 Feb 2019

Keywords

18-electron complexes
DFT calculations
alkali metals
bonding analysis
infrared photodissociation spectroscopy

Access to Document

10.1002/anie.201813022

Cite this

@article{847f952c63b54dd68678807a93b874b1,

title = " Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO) 3 − ",

abstract = " The alkali metal-nickel carbonyl anions ENi(CO) 3 − with E=Li, Na, K, Rb, Cs have been produced and characterized by mass-selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18-electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structures possess C 3v geometry, where the alkali atom is located above a nearly planar Ni(CO) 3 − fragment. The analysis of the electronic structure reveals a peculiar bonding situation where the alkali atom is covalently bonded not only to Ni but also to the carbon atoms.",

keywords = "18-electron complexes, DFT calculations, alkali metals, bonding analysis, infrared photodissociation spectroscopy",

author = "Chaoxian Chi and Sudip Pan and Luyan Meng and Mingbiao Luo and Lili Zhao and Mingfei Zhou and Gernot Frenking",

note = "Publisher Copyright: {\textcopyright} 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",

year = "2019",

month = feb,

day = "4",

doi = "10.1002/anie.201813022",

language = "英语",

volume = "58",

pages = "1732--1738",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "6",

}

Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO) ₃ ⁻ . / Chi, Chaoxian; Pan, Sudip; Meng, Luyan et al.
In: Angewandte Chemie - International Edition, Vol. 58, No. 6, 04.02.2019, p. 1732-1738.

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

TY - JOUR

T1 - Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO) 3 −

AU - Chi, Chaoxian

AU - Pan, Sudip

AU - Meng, Luyan

AU - Luo, Mingbiao

AU - Zhao, Lili

AU - Zhou, Mingfei

AU - Frenking, Gernot

PY - 2019/2/4

Y1 - 2019/2/4

N2 - The alkali metal-nickel carbonyl anions ENi(CO) 3 − with E=Li, Na, K, Rb, Cs have been produced and characterized by mass-selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18-electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structures possess C 3v geometry, where the alkali atom is located above a nearly planar Ni(CO) 3 − fragment. The analysis of the electronic structure reveals a peculiar bonding situation where the alkali atom is covalently bonded not only to Ni but also to the carbon atoms.

AB - The alkali metal-nickel carbonyl anions ENi(CO) 3 − with E=Li, Na, K, Rb, Cs have been produced and characterized by mass-selected infrared photodissociation spectroscopy in the gas phase. The molecules are the first examples of 18-electron transition metal complexes with alkali atoms as covalently bonded ligands. The calculated equilibrium structures possess C 3v geometry, where the alkali atom is located above a nearly planar Ni(CO) 3 − fragment. The analysis of the electronic structure reveals a peculiar bonding situation where the alkali atom is covalently bonded not only to Ni but also to the carbon atoms.

KW - 18-electron complexes

KW - DFT calculations

KW - alkali metals

KW - bonding analysis

KW - infrared photodissociation spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=85059740864&partnerID=8YFLogxK

U2 - 10.1002/anie.201813022

DO - 10.1002/anie.201813022

M3 - 文章

C2 - 30548753

AN - SCOPUS:85059740864

SN - 1433-7851

VL - 58

SP - 1732

EP - 1738

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 6

ER -

Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO) ₃ ⁻

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this