DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Authors:
ORCiD logo [1];  [2]
  1. Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg SE-41296, Sweden
  2. Division of Chemistry, Department of Energy and Photon Sciences, Brookhaven National Laboratory, Upton, New York 11973-5000, USA
Publication Date:
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.
Nyman, Gunnar, & Yu, Hua-Gen. Infrared vibrational spectra of CH3+ and its deuterated isotopologues. United States. https://doi.org/10.1063/1.5114693
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.
@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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.5114693

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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

  • Jagod, Mary-Frances; Rösslein, Matthias; Gabrys, Charles M.
  • Journal of Molecular Spectroscopy, Vol. 153, Issue 1-2
  • DOI: 10.1016/0022-2852(92)90501-e

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

  • Roueff, Evelyne; Gerin, Maryvonne; Lis, Dariusz C.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 39
  • DOI: 10.1021/jp400119a

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

  • Irikura, Karl K.
  • Journal of Physical and Chemical Reference Data, Vol. 36, Issue 2
  • DOI: 10.1063/1.2436891

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

  • Gärtner, Sabrina; Krieg, Jürgen; Klemann, André
  • The Journal of Physical Chemistry A, Vol. 117, Issue 39
  • DOI: 10.1021/jp400258e

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

  • Wei, Hua; Carrington, Tucker
  • The Journal of Chemical Physics, Vol. 97, Issue 5
  • DOI: 10.1063/1.463044

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

  • Yu, Hua-Gen; Nyman, Gunnar
  • The Journal of Chemical Physics, Vol. 110, Issue 15
  • DOI: 10.1063/1.478627

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

  • Nyman, Gunnar; van Harrevelt, Rob; Manthe, Uwe
  • The Journal of Physical Chemistry A, Vol. 111, Issue 41
  • DOI: 10.1021/jp071892t

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

  • Olkhov, Rouslan V.; Nizkorodov, Sergey A.; Dopfer, Otto
  • The Journal of Chemical Physics, Vol. 108, Issue 24
  • DOI: 10.1063/1.476465

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

  • Roesslein, Matthias; Jagod, Mary-Frances; Gabrys, Charles M.
  • The Astrophysical Journal, Vol. 382
  • DOI: 10.1086/186211

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

  • Crofton, Mark W.; Jagod, Mary‐Frances; Rehfuss, Brent D.
  • The Journal of Chemical Physics, Vol. 88, Issue 2
  • DOI: 10.1063/1.454194

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

  • Smith, D.; Adams, N. G.; Alge, E.
  • The Astrophysical Journal, Vol. 263
  • DOI: 10.1086/160487

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

  • Jusko, Pavol; Stoffels, Alexander; Thorwirth, Sven
  • Journal of Molecular Spectroscopy, Vol. 332
  • DOI: 10.1016/j.jms.2016.10.017

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

  • Lanczos, C.
  • Journal of Research of the National Bureau of Standards, Vol. 45, Issue 4
  • DOI: 10.6028/jres.045.026

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

  • Carter, Stuart; Sharma, Amit R.; Bowman, Joel M.
  • The Journal of Chemical Physics, Vol. 131, Issue 22
  • DOI: 10.1063/1.3266577

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


Vibrational energy levels of methyl cation
journal, July 2002

  • Yu, Hua-Gen; Sears, Trevor J.
  • The Journal of Chemical Physics, Vol. 117, Issue 2
  • DOI: 10.1063/1.1483852

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

  • Yu, Hua-Gen; Muckerman, James T.
  • Journal of Molecular Spectroscopy, Vol. 214, Issue 1
  • DOI: 10.1006/jmsp.2002.8569

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

  • Betten, Josef
  • International Journal of Mathematics and Mathematical Sciences, Vol. 5, Issue 1
  • DOI: 10.1155/S0161171282000088

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

  • Marquardt, Roberto; Quack, Martin; Thanopulos, Ioannis
  • The Journal of Chemical Physics, Vol. 119, Issue 20
  • DOI: 10.1063/1.1617272

Deuterium fractionation in dense interstellar clouds
journal, May 1989

  • Millar, T. J.; Bennett, A.; Herbst, Eric
  • The Astrophysical Journal, Vol. 340
  • DOI: 10.1086/167444