Dicarbonyls of Carbon and Methylidyne Cations

Jiaye Jin; Lili Zhao; Xiaonan Wu; Wei Li; Yuhong Liu; Diego M. Andrada; Mingfei Zhou; Gernot Frenking

doi:10.1021/acs.jpca.7b00739

Dicarbonyls of Carbon and Methylidyne Cations

Jiaye Jin, Lili Zhao, Xiaonan Wu, Wei Li, Yuhong Liu, Diego M. Andrada, Mingfei Zhou, Gernot Frenking

School of Chemistry and Moleculai Engineering

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

5 Scopus citations

Abstract

The carbon suboxide cation C₃O₂ ⁺ and the protonated carbon suboxide HC₃O₂ ⁺/DC₃O₂ ⁺ were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations have a bent C_2v symmetry and can be designated as dicarbonyls of a carbon cation and methylidyne cation, respectively.

Original language	English
Pages (from-to)	2903-2910
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	121
Issue number	15
DOIs	https://doi.org/10.1021/acs.jpca.7b00739
State	Published - 20 Apr 2017

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title = "Dicarbonyls of Carbon and Methylidyne Cations",

abstract = "The carbon suboxide cation C3O2 + and the protonated carbon suboxide HC3O2 +/DC3O2 + were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations have a bent C2v symmetry and can be designated as dicarbonyls of a carbon cation and methylidyne cation, respectively.",

author = "Jiaye Jin and Lili Zhao and Xiaonan Wu and Wei Li and Yuhong Liu and Andrada, {Diego M.} and Mingfei Zhou and Gernot Frenking",

note = "Publisher Copyright: {\textcopyright} 2017 American Chemical Society.",

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T1 - Dicarbonyls of Carbon and Methylidyne Cations

AU - Jin, Jiaye

AU - Zhao, Lili

AU - Wu, Xiaonan

AU - Li, Wei

AU - Liu, Yuhong

AU - Andrada, Diego M.

AU - Zhou, Mingfei

AU - Frenking, Gernot

PY - 2017/4/20

Y1 - 2017/4/20

N2 - The carbon suboxide cation C3O2 + and the protonated carbon suboxide HC3O2 +/DC3O2 + were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations have a bent C2v symmetry and can be designated as dicarbonyls of a carbon cation and methylidyne cation, respectively.

AB - The carbon suboxide cation C3O2 + and the protonated carbon suboxide HC3O2 +/DC3O2 + were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations have a bent C2v symmetry and can be designated as dicarbonyls of a carbon cation and methylidyne cation, respectively.

UR - http://www.scopus.com/inward/record.url?scp=85020024221&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.7b00739

DO - 10.1021/acs.jpca.7b00739

M3 - 文章

C2 - 28346783

AN - SCOPUS:85020024221

SN - 1089-5639

VL - 121

SP - 2903

EP - 2910

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 15

ER -

Dicarbonyls of Carbon and Methylidyne Cations

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