Infrared vibrational spectra of CH3+ and its deuterated isotopologues

Nyman, Gunnar; Yu, Hua-Gen

doi:10.1063/1.5114693

Title: Infrared vibrational spectra of CH3+ and its deuterated isotopologues

Authors:

^[1]; Yu, Hua-Gen ^[2]

Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg SE-41296, Sweden
Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000, USA

Publication Date:: 2019-09-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1562147

Grant/Contract Number:: SC0012704

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: AIP Advances

Additional Journal Information:: Journal Name: AIP Advances Journal Volume: 9 Journal Issue: 9; Journal ID: ISSN 2158-3226

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Nyman, Gunnar, and Yu, Hua-Gen. Infrared vibrational spectra of CH3+ and its deuterated isotopologues.  United States: N. p., 2019. 
Web.  doi:10.1063/1.5114693.

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                    Nyman, Gunnar, & Yu, Hua-Gen. Infrared vibrational spectra of CH3+ and its deuterated isotopologues.  United States.  https://doi.org/10.1063/1.5114693

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                    Nyman, Gunnar, and Yu, Hua-Gen. Sun .  
"Infrared vibrational spectra of CH3+ and its deuterated isotopologues".  United States.  https://doi.org/10.1063/1.5114693.

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@article{osti_1562147,

  title        = {Infrared vibrational spectra of CH3+ and its deuterated isotopologues},

  author       = {Nyman, Gunnar and Yu, Hua-Gen},

  abstractNote = {},

  doi          = {10.1063/1.5114693},

  journal      = {AIP Advances},

  number       = 9,

  volume       = 9,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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https://doi.org/10.1063/1.5114693

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Works referenced in this record:

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Title: Infrared vibrational spectra of CH3+ and its deuterated isotopologues

Citation Formats

Infrared spectroscopy of carbo-ions: The ν1 and ν4 bands of CH2D+, and the ν1 band of CHD2+ journal, May 1992

Erratum to: Accelerating the calculation of the rovibrational energies of tetraatomic molecules using a two-layer Lanczos algorithm [Chem. Phys. Lett. 365 (2002) 189–196.] journal, January 2003

CH 2 D + , the Search for the Holy Grail journal, March 2013

Experimental Vibrational Zero-Point Energies: Diatomic Molecules journal, June 2007

Spectroscopy of the low-frequency vibrational modes of CH 3 + isotopologues journal, May 2018

High-Resolution Spectroscopy of CH 2 D + in a Cold 22-Pole Ion Trap journal, March 2013

The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinates journal, September 1992

Matrix spectroscopy: Computation of interior eigenstates of large matrices using layered iteration journal, April 1995

A four dimensional quantum scattering study of the Cl+CH4⇌HCl+CH3 reaction via spectral transform iteration journal, April 1999

Thermochemistry and Accurate Quantum Reaction Rate Calculations for H 2 /HD/D 2 + CH 3 † journal, October 2007

Infrared photodissociation spectra of CH3+–Arn complexes (n=1–8) journal, June 1998

Laboratory infrared spectra of CH2D(+) and HCCD(+) and predicted microwave transitions journal, November 1991

Submillimeter-wave spectrum of CH 2 D + journal, June 2010

Infrared spectroscopy of carbo‐ions. III. ν 3 band of methyl cation CH + 3 journal, January 1988

Some H/D exchange reactions involved in the deuteration of interstellar molecules journal, December 1982

Double resonance rotational spectroscopy of CH 2 D + journal, September 2016

High-resolution vibrational and rotational spectroscopy of CD 2 H + in a cryogenic ion trap journal, February 2017

Potential energy function and rotation-vibration energy levels of CH3+ journal, September 1991

An iteration method for the solution of the eigenvalue problem of linear differential and integral operators journal, October 1950

Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH 3 , CH 2 D, CHD 2 and CD 3 : Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations † journal, April 2010

Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE journal, December 2009

"Heavy Electron" Photoelectron Spectroscopy: Rotationally Resolved Ion Pair Imaging of CH3+ journal, December 2001

How to extend the recursive residue generation method (RRGM) to the degenerate case? journal, September 1985

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules journal, January 2015

Vibrational energy levels of methyl cation journal, July 2002

A General Variational Algorithm to Calculate Vibrational Energy Levels of Tetraatomic Molecules journal, July 2002

Integrity basis for a second-order and a fourth-order tensor journal, January 1982

A global electric dipole function of ammonia and isotopomers in the electronic ground state journal, November 2003

Deuterium fractionation in dense interstellar clouds journal, May 1989

Infrared spectroscopy of carbo-ions: The ν1 and ν4 bands of CH2D+, and the ν1 band of CHD2+
journal, May 1992

Erratum to: Accelerating the calculation of the rovibrational energies of tetraatomic molecules using a two-layer Lanczos algorithm [Chem. Phys. Lett. 365 (2002) 189–196.]
journal, January 2003

CH ₂ D ⁺ , the Search for the Holy Grail
journal, March 2013

Experimental Vibrational Zero-Point Energies: Diatomic Molecules
journal, June 2007

Spectroscopy of the low-frequency vibrational modes of ${CH}_{3}^{+}$ isotopologues
journal, May 2018

High-Resolution Spectroscopy of CH ₂ D ⁺ in a Cold 22-Pole Ion Trap
journal, March 2013

The discrete variable representation of a triatomic Hamiltonian in bond length–bond angle coordinates
journal, September 1992

Matrix spectroscopy: Computation of interior eigenstates of large matrices using layered iteration
journal, April 1995

A four dimensional quantum scattering study of the Cl+CH4⇌HCl+CH3 reaction via spectral transform iteration
journal, April 1999

Thermochemistry and Accurate Quantum Reaction Rate Calculations for H ₂ /HD/D ₂ + CH ₃ ^†
journal, October 2007

Infrared photodissociation spectra of CH3+–Arn complexes (n=1–8)
journal, June 1998

Laboratory infrared spectra of CH2D(+) and HCCD(+) and predicted microwave transitions
journal, November 1991

Submillimeter-wave spectrum of CH ₂ D ⁺
journal, June 2010

Infrared spectroscopy of carbo‐ions. III. ν ₃ band of methyl cation CH ⁺ ₃
journal, January 1988

Some H/D exchange reactions involved in the deuteration of interstellar molecules
journal, December 1982

Double resonance rotational spectroscopy of CH ₂ D ⁺
journal, September 2016

High-resolution vibrational and rotational spectroscopy of CD 2 H + in a cryogenic ion trap
journal, February 2017

Potential energy function and rotation-vibration energy levels of CH3+
journal, September 1991

An iteration method for the solution of the eigenvalue problem of linear differential and integral operators
journal, October 1950

Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH ₃ , CH ₂ D, CHD ₂ and CD ₃ : Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations ^†
journal, April 2010

Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE
journal, December 2009

"Heavy Electron" Photoelectron Spectroscopy: Rotationally Resolved Ion Pair Imaging of CH3+
journal, December 2001

How to extend the recursive residue generation method (RRGM) to the degenerate case?
journal, September 1985

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules
journal, January 2015

Vibrational energy levels of methyl cation
journal, July 2002

A General Variational Algorithm to Calculate Vibrational Energy Levels of Tetraatomic Molecules
journal, July 2002

Integrity basis for a second-order and a fourth-order tensor
journal, January 1982

A global electric dipole function of ammonia and isotopomers in the electronic ground state
journal, November 2003

Deuterium fractionation in dense interstellar clouds
journal, May 1989