Generation and Characterization of the C3O2− Anion with an Unexpected Unsymmetrical Structure

Lina Wang; Sudip Pan; Bo Lu; Xuelin Dong; Hongmin Li; Guohai Deng; Xiaoqing Zeng; Mingfei Zhou; Gernot Frenking

doi:10.1002/anie.202013921

Generation and Characterization of the C₃O₂⁻ Anion with an Unexpected Unsymmetrical Structure

Lina Wang, Sudip Pan, Bo Lu, Xuelin Dong, Hongmin Li, Guohai Deng, Xiaoqing Zeng, Mingfei Zhou, Gernot Frenking

School of Chemistry and Moleculai Engineering

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

14 Scopus citations

Abstract

The carbon suboxide anion C₃O₂⁻ is generated in solid neon matrix. It is characterized by infrared absorption spectroscopy as well as quantum chemical calculations to have a planar C_s structure where two CO groups with significantly different bond lengths and angles are attached in a zigzag fashion to the central carbon atom. Bonding analysis indicates that it is best described by the bonding interactions between a neutral CO in a triplet excited state and a doublet excited state of CCO⁻.

Original language	English
Pages (from-to)	4518-4523
Number of pages	6
Journal	Angewandte Chemie - International Edition
Volume	60
Issue number	9
DOIs	https://doi.org/10.1002/anie.202013921
State	Published - 23 Feb 2021

Keywords

bonding analysis
carbon suboxide anion
infrared spectroscopy
matrix isolation
quantum chemical calculations

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title = "Generation and Characterization of the C3O2− Anion with an Unexpected Unsymmetrical Structure",

abstract = "The carbon suboxide anion C3O2− is generated in solid neon matrix. It is characterized by infrared absorption spectroscopy as well as quantum chemical calculations to have a planar Cs structure where two CO groups with significantly different bond lengths and angles are attached in a zigzag fashion to the central carbon atom. Bonding analysis indicates that it is best described by the bonding interactions between a neutral CO in a triplet excited state and a doublet excited state of CCO−.",

keywords = "bonding analysis, carbon suboxide anion, infrared spectroscopy, matrix isolation, quantum chemical calculations",

author = "Lina Wang and Sudip Pan and Bo Lu and Xuelin Dong and Hongmin Li and Guohai Deng and Xiaoqing Zeng and Mingfei Zhou and Gernot Frenking",

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T1 - Generation and Characterization of the C3O2− Anion with an Unexpected Unsymmetrical Structure

AU - Wang, Lina

AU - Pan, Sudip

AU - Lu, Bo

AU - Dong, Xuelin

AU - Li, Hongmin

AU - Deng, Guohai

AU - Zeng, Xiaoqing

AU - Zhou, Mingfei

AU - Frenking, Gernot

PY - 2021/2/23

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N2 - The carbon suboxide anion C3O2− is generated in solid neon matrix. It is characterized by infrared absorption spectroscopy as well as quantum chemical calculations to have a planar Cs structure where two CO groups with significantly different bond lengths and angles are attached in a zigzag fashion to the central carbon atom. Bonding analysis indicates that it is best described by the bonding interactions between a neutral CO in a triplet excited state and a doublet excited state of CCO−.

AB - The carbon suboxide anion C3O2− is generated in solid neon matrix. It is characterized by infrared absorption spectroscopy as well as quantum chemical calculations to have a planar Cs structure where two CO groups with significantly different bond lengths and angles are attached in a zigzag fashion to the central carbon atom. Bonding analysis indicates that it is best described by the bonding interactions between a neutral CO in a triplet excited state and a doublet excited state of CCO−.

KW - bonding analysis

KW - carbon suboxide anion

KW - infrared spectroscopy

KW - matrix isolation

KW - quantum chemical calculations

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U2 - 10.1002/anie.202013921

DO - 10.1002/anie.202013921

M3 - 文章

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AN - SCOPUS:85099253170

SN - 1433-7851

VL - 60

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EP - 4523

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 9

ER -

Generation and Characterization of the C₃O₂⁻ Anion with an Unexpected Unsymmetrical Structure

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Keywords

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