Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5

Huang, Yu-Hsuan; Li, Jun; Guo, Hua; Lee, Yuan-Pern

doi:10.1063/1.4921731

Title: Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5

Authors:

Huang, Yu-Hsuan ^[1]; Li, Jun ^[2]; Guo, Hua ^[3]; Lee, Yuan-Pern ^[4]

Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu 30010, Taiwan
School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China, Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001, Ta-Hsueh Road, Hsinchu 30010, Taiwan, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan

Publication Date:: Mon Jun 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE

OSTI Identifier:: 1228621

Grant/Contract Number:: DEFG02-05ER15694 to HG

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: The Journal of Chemical Physics

Additional Journal Information:: Journal Name: The Journal of Chemical Physics Journal Volume: 142 Journal Issue: 21; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Huang, Yu-Hsuan, Li, Jun, Guo, Hua, and Lee, Yuan-Pern. Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5.  United States: N. p., 2015. 
Web.  doi:10.1063/1.4921731.

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                    Huang, Yu-Hsuan, Li, Jun, Guo, Hua, & Lee, Yuan-Pern. Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5.  United States.  https://doi.org/10.1063/1.4921731

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                    Huang, Yu-Hsuan, Li, Jun, Guo, Hua, and Lee, Yuan-Pern. Mon .  
"Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5".  United States.  https://doi.org/10.1063/1.4921731.

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@article{osti_1228621,

  title        = {Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5},

  author       = {Huang, Yu-Hsuan and Li, Jun and Guo, Hua and Lee, Yuan-Pern},

  abstractNote = {},

  doi          = {10.1063/1.4921731},

  journal      = {The Journal of Chemical Physics},

  number       = 21,

  volume       = 142,

  place        = {United States},

  year         = {Mon Jun 01 00:00:00 EDT 2015},

  month        = {Mon Jun 01 00:00:00 EDT 2015}

}

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Title: Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5

Citation Formats

Density‐functional thermochemistry. III. The role of exact exchange journal, April 1993

Simplification of the molecular vibration-rotation hamiltonian journal, January 1968

Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5 journal, June 2015

Permutation invariant polynomial neural network approach to fitting potential energy surfaces journal, August 2013

Preparation, properties, and reactions of carbonyl oxides journal, May 1991

The self-consistent-field approach to polyatomic vibrations journal, June 1986

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal, January 1988

Absolute Ultraviolet Absorption Spectrum of a Criegee Intermediate CH 2 OO journal, November 2013

Die Ozonisierung des 9,10-Oktalins journal, July 1949

The Simplest Criegee Intermediate (H 2 C═O–O): Isotopic Spectroscopy, Equilibrium Structure, and Possible Formation from Atmospheric Lightning journal, November 2013

Anharmonic Frequencies of CX 2 Y 2 (X, Y = O, N, F, H, D) Isomers and Related Systems Obtained from Vibrational Multiconfiguration Self-Consistent Field Theory journal, October 2011

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems journal, November 2013

Ultraviolet Spectrum and Photochemistry of the Simplest Criegee Intermediate CH 2 OO journal, December 2012

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen journal, January 1989

Excited vibrational states of polyatomic molecules: the semiclassical self-consistent field approach journal, January 1986

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon journal, January 1993

Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone journal, March 2011

An experimental and theoretical study on rotational constants of vibrationally excited CH2OO journal, February 2015

The UV absorption spectrum of the simplest Criegee intermediate CH 2 OO journal, January 2014

MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules journal, July 2003

Carbonyl Oxides: Zwitterions or Diradicals? journal, April 1990

High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH 2 OO) journal, June 2014

Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH2OO journal, April 2013

Infrared absorption of gaseous CH 2 BrOO detected with a step-scan Fourier-transform absorption spectrometer journal, October 2014

Communication: Determination of the molecular structure of the simplest Criegee intermediate CH 2 OO journal, September 2013

Direct Kinetic Measurements of Criegee Intermediate (CH2OO) Formed by Reaction of CH2I with O2 journal, January 2012

The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere journal, January 2008

UV–VIS absorption cross-sections and atmospheric lifetimes of CH2Br2, CH2I2 and CH2BrI journal, January 1998

Submillimeter measurements of the Criegee intermediate CH2OO, in the gas phase journal, March 2014

Gas-Phase Ozonolysis of Alkenes. Recent Advances in Mechanistic Investigations † journal, July 1998

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Simplification of the molecular vibration-rotation hamiltonian
journal, January 1968

Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
journal, June 2015

Permutation invariant polynomial neural network approach to fitting potential energy surfaces
journal, August 2013

Preparation, properties, and reactions of carbonyl oxides
journal, May 1991

The self-consistent-field approach to polyatomic vibrations
journal, June 1986

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988

Absolute Ultraviolet Absorption Spectrum of a Criegee Intermediate CH ₂ OO
journal, November 2013

Die Ozonisierung des 9,10-Oktalins
journal, July 1949

The Simplest Criegee Intermediate (H ₂ C═O–O): Isotopic Spectroscopy, Equilibrium Structure, and Possible Formation from Atmospheric Lightning
journal, November 2013

Anharmonic Frequencies of CX ₂ Y ₂ (X, Y = O, N, F, H, D) Isomers and Related Systems Obtained from Vibrational Multiconfiguration Self-Consistent Field Theory
journal, October 2011

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
journal, November 2013

Ultraviolet Spectrum and Photochemistry of the Simplest Criegee Intermediate CH ₂ OO
journal, December 2012

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
journal, January 1989

Excited vibrational states of polyatomic molecules: the semiclassical self-consistent field approach
journal, January 1986

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
journal, January 1993

Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone
journal, March 2011

An experimental and theoretical study on rotational constants of vibrationally excited CH2OO
journal, February 2015

The UV absorption spectrum of the simplest Criegee intermediate CH ₂ OO
journal, January 2014

MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules
journal, July 2003

Carbonyl Oxides: Zwitterions or Diradicals?
journal, April 1990

High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH ₂ OO)
journal, June 2014

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journal, April 2013

Infrared absorption of gaseous CH ₂ BrOO detected with a step-scan Fourier-transform absorption spectrometer
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journal, September 2013

Direct Kinetic Measurements of Criegee Intermediate (CH2OO) Formed by Reaction of CH2I with O2
journal, January 2012

The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere
journal, January 2008

UV–VIS absorption cross-sections and atmospheric lifetimes of CH2Br2, CH2I2 and CH2BrI
journal, January 1998

Submillimeter measurements of the Criegee intermediate CH2OO, in the gas phase
journal, March 2014

Gas-Phase Ozonolysis of Alkenes. Recent Advances in Mechanistic Investigations ^†
journal, July 1998