A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): Determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and CH4+

Chang, Yih -Chung; Xiong, Bo; Bross, David H.; Ruscic, Branko; Ng, C. Y.

doi:10.1039/C6CP08200A

Title: A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH₄): Determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH₄ and CH₄⁺

Journal Article · Mon Mar 27 04:00:00 UTC 2017 · Physical Chemistry Chemical Physics. PCCP

DOI: https://doi.org/10.1039/C6CP08200A · OSTI ID:1366503

^[1]; Xiong, Bo ^[1]; Bross, David H. ^[2];

^[3];

^[1]

Univ. of California, Davis, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Chicago, Chicago, IL (United States)

Here, we report on the successful implementation of a high-resolution vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection method for the study of unimolecular dissociation of quantum-state- or energy-selected molecular ions. As a test case, we have determined the 0 K appearance energy (AE₀) for the formation of methylium, CH₃⁺, from methane, CH₄, as AE₀ (CH₃⁺/CH₄) = 14.32271 ± 0.00013 eV. This value has a significantly smaller error limit, but is otherwise consistent with previous laboratory and/or synchrotron-based studies of this dissociative photoionization onset. Furthermore, the sum of the VUV laser PFI-PI spectra obtained for the parent CH₄⁺ ion and the fragment CH₃⁺ ions of methane is found to agree with the earlier VUV pulsed field ionization-photoelectron (VUV-PFI-PE) spectrum of methane, providing unambiguous validation of the previous interpretation that the sharp VUV-PFI-PE step observed at the AE₀ (CH₃⁺/CH₄) threshold ensues because of higher PFI detection efficiency for fragment CH₃⁺ than for parent CH₄⁺. This, in turn, is a consequence of the underlying high-n Rydberg dissociation mechanism for the dissociative photoionization of CH₄, which was proposed in previous synchrotron-based VUV-PFI-PE and VUV-PFI-PEPICO studies of CH₄. The present highly accurate 0 K dissociative ionization threshold for CH₄ can be utilized to derive accurate values for the bond dissociation energies of methane and methane cation. For methane, the straightforward application of sequential thermochemistry via the positive ion cycle leads to some ambiguity because of two competing VUV-PFI-PE literature values for the ionization energy of methyl radical. The ambiguity is successfully resolved by applying the Active Thermochemical Tables (ATcT) approach, resulting in D₀ (H-CH₃) = 432.463 ± 0.027 kJ/mol and D₀(H-CH₃⁺) = 164.701 ± 0.038 kJ/mol.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1366503

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 14 Vol. 19; ISSN 1463-9076; ISSN PPCPFQ

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

References (88)

The Determination of the Transition State Structure from the J Dependence of the Dissociation Energy E0 (J): The Methane and Ethane Ion Dissociation Weitzel, Karl-Michael; Mähnert, Joachim; Baumgärtel, Helmut Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 97, Issue 1 https://doi.org/10.1002/bbpc.19930970122	journal	January 1993
Über die Darstellung von freiem Methyl Paneth, Fritz; Hofeditz, Wilhelm Berichte der deutschen chemischen Gesellschaft (A and B Series), Vol. 62, Issue 5 https://doi.org/10.1002/cber.19290620537	journal	May 1929
Bond-dissociation energies of cations-Pushing the limits to quantum state resolution Weitzel, Karl-Michael Mass Spectrometry Reviews, Vol. 30, Issue 2 https://doi.org/10.1002/mas.20276	journal	May 2010
Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables Ruscic, Branko International Journal of Quantum Chemistry, Vol. 114, Issue 17 https://doi.org/10.1002/qua.24605	journal	January 2014
Improved accuracy benchmarks of small molecules using correlation consistent basis sets Feller, David; Peterson, Kirk A.; Ruscic, Branko Theoretical Chemistry Accounts, Vol. 133, Issue 1 https://doi.org/10.1007/s00214-013-1407-z	journal	November 2013
Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values Ruscic, Branko; Feller, David; Peterson, Kirk A. Theoretical Chemistry Accounts, Vol. 133, Issue 1 https://doi.org/10.1007/s00214-013-1415-z	journal	November 2013
The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy Baker, A. D.; Baker, C.; Brundle, C. R. International Journal of Mass Spectrometry and Ion Physics, Vol. 1, Issue 4-5 https://doi.org/10.1016/0020-7381(68)85005-3	journal	October 1968
The first ionization potential of the methyl radical as determined by photoelectron spectroscopy Golob, L.; Jonathan, N.; Morris, A. Journal of Electron Spectroscopy and Related Phenomena, Vol. 1, Issue 5 https://doi.org/10.1016/0368-2048(72)80022-7	journal	December 1972
Rydberg-state-resolved zero-kinetic-energy photoelectron spectroscopy Seiler, R.; Hollenstein, U.; Greetham, G. M. Chemical Physics Letters, Vol. 346, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)00928-9	journal	October 2001
A pulsed field ionization study of the dissociative photoionization reaction CD4+hν→CD3++D+e− Song, Y.; Qian, X. -M; Lau, K. -C Chemical Physics Letters, Vol. 347, Issue 1-3 https://doi.org/10.1016/S0009-2614(01)00997-6	journal	October 2001
A pulsed field ionization photoelectron–photoion coincidence study of the dissociative photoionization process D2O+hν→OD++D+e− Qian, X. -M; Song, Y.; Lau, K. -C Chemical Physics Letters, Vol. 353, Issue 1-2 https://doi.org/10.1016/S0009-2614(01)01442-7	journal	February 2002
Advances in photoionization and photoelectron studies using third generation synchrotron radiation Ng, Cheuk-Yiu Journal of Electron Spectroscopy and Related Phenomena, Vol. 108, Issue 1-3 https://doi.org/10.1016/S0368-2048(00)00144-4	journal	July 2000
High-resolution pulsed-field ionization photoelectron–photoion coincidence spectroscopy: Ng, C. Y. Journal of Electron Spectroscopy and Related Phenomena, Vol. 112, Issue 1-3 https://doi.org/10.1016/S0368-2048(00)00201-2	journal	November 2000
Vacuum ultraviolet photoionization and photoelectron studies in the new millennium: recent developments and applications Ng, C. Y. International Journal of Mass Spectrometry, Vol. 200, Issue 1-3 https://doi.org/10.1016/S1387-3806(00)00348-1	journal	December 2000
Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory Klopper, Wim; Ruscic, Branko; Tew, David P. Chemical Physics, Vol. 356, Issue 1-3 https://doi.org/10.1016/j.chemphys.2008.11.013	journal	February 2009
Synchrotron threshold photoelectron photoion coincidence spectroscopy of radicals produced in a pyrolysis source: The methyl radical Zhu, Yupeng; Wu, Xiangkun; Tang, Xiaofeng Chemical Physics Letters, Vol. 664 https://doi.org/10.1016/j.cplett.2016.10.041	journal	November 2016
Benchmark atomization energy of ethane: Importance of accurate zero-point vibrational energies and diagonal Born–Oppenheimer corrections for a ‘simple’ organic molecule Karton, Amir; Ruscic, Branko; Martin, Jan M. L. Journal of Molecular Structure: THEOCHEM, Vol. 811, Issue 1-3 https://doi.org/10.1016/j.theochem.2007.01.013	journal	June 2007
Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry Ruscic, Branko The Journal of Physical Chemistry A, Vol. 119, Issue 28 https://doi.org/10.1021/acs.jpca.5b01346	journal	February 2015
On the HCN – HNC Energy Difference Nguyen, Thanh L.; Baraban, Joshua H.; Ruscic, Branko The Journal of Physical Chemistry A, Vol. 119, Issue 44 https://doi.org/10.1021/acs.jpca.5b08406	journal	October 2015
Benchmarking State-of-the-Art ab Initio Thermochemical Predictions with Accurate Pulsed-Field Ionization Photoion−Photoelectron Measurements Lau, Kai-Chung; Ng, Cheuk-Yiu Accounts of Chemical Research, Vol. 39, Issue 11 https://doi.org/10.1021/ar0402210	journal	November 2006
Photoelectron spectroscopy of methyl, ethyl, isopropyl, and tert-butyl radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions Houle, F. A.; Beauchamp, J. L. Journal of the American Chemical Society, Vol. 101, Issue 15 https://doi.org/10.1021/ja00509a010	journal	July 1979
Helium(I) photoelectron spectra of organic radicals Koenig, T.; Balle, T.; Snell, W. Journal of the American Chemical Society, Vol. 97, Issue 3 https://doi.org/10.1021/ja00836a044	journal	February 1975
On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl Ruscic, Branko; Wagner, Albert F.; Harding, Lawrence B. The Journal of Physical Chemistry A, Vol. 106, Issue 11 https://doi.org/10.1021/jp013909s	journal	March 2002
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited ^† Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L. The Journal of Physical Chemistry A, Vol. 108, Issue 45 https://doi.org/10.1021/jp047912y	journal	November 2004
Active Thermochemical Tables: Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO ₂ ^† Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L. The Journal of Physical Chemistry A, Vol. 110, Issue 21 https://doi.org/10.1021/jp056311j	journal	June 2006
Heats of Formation of C ₆ H ₅ ^• , C ₆ H ₅ ⁺ , and C ₆ H ₅ NO by Threshold Photoelectron Photoion Coincidence and Active Thermochemical Tables Analysis Stevens, William R.; Ruscic, Branko; Baer, Tomas The Journal of Physical Chemistry A, Vol. 114, Issue 50 https://doi.org/10.1021/jp107561s	journal	December 2010
Active Thermochemical Tables: Water and Water Dimer Ruscic, Branko The Journal of Physical Chemistry A, Vol. 117, Issue 46 https://doi.org/10.1021/jp403197t	journal	May 2013
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 ^† Cunha de Miranda, Bárbara K.; Alcaraz, Christian; Elhanine, Mohamed The Journal of Physical Chemistry A, Vol. 114, Issue 14 https://doi.org/10.1021/jp909422q	journal	April 2010
Simultaneous Adjustment of Experimentally Based Enthalpies of Formation of CF ₃ X, X = nil, H, Cl, Br, I, CF ₃ , CN, and a Probe of G3 Theory Ruscic, Branko; Michael, Joe V.; Redfern, Paul C. The Journal of Physical Chemistry A, Vol. 102, Issue 52 https://doi.org/10.1021/jp983237e	journal	December 1998
Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH ₂ and the Bond Dissociation Energy of CH ₃ via Simultaneous Solution of the Local Thermochemical Network Ruscic, Branko; Litorja, Maritoni; Asher, Robert L. The Journal of Physical Chemistry A, Vol. 103, Issue 43 https://doi.org/10.1021/jp992403v	journal	October 1999
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 7.—The methyl radical Dyke, John; Jonathan, Neville; Lee, Edmond J. Chem. Soc., Faraday Trans. 2, Vol. 72, Issue 0 https://doi.org/10.1039/F29767201385	journal	January 1976
High-resolution pulsed field ionization photoelectron-photoion coincidence study of C2H2: Accurate 0 K dissociation threshold for C2H+ Jarvis, G. K.; Weitzel, Karl-Michael; Malow, Marcus Physical Chemistry Chemical Physics, Vol. 1, Issue 22 https://doi.org/10.1039/a907383c	journal	January 1999
PFI-ZEKE photoelectron spectra of the methane cation and the dynamic Jahn–Teller effect Signorell, R.; Merkt, F. Faraday Discussions, Vol. 115 https://doi.org/10.1039/a909272b	journal	January 2000
A combined vacuum ultraviolet laser and synchrotron pulsed field ionization study of BCl3 Yang, Jie; Mo, Yuxiang; Lau, K. C. Physical Chemistry Chemical Physics, Vol. 7, Issue 7 https://doi.org/10.1039/b417083k	journal	January 2005
General discussion Jonathan, N.; Morris, A.; Potts, A. W. Faraday Discussions of the Chemical Society, Vol. 54 https://doi.org/10.1039/dc9725400064	journal	January 1972
High resolution pulsed field ionization photoelectron spectroscopy using multibunch synchrotron radiation: Time-of-flight selection scheme Jarvis, G. K.; Song, Y.; Ng, C. Y. Review of Scientific Instruments, Vol. 70, Issue 6 https://doi.org/10.1063/1.1149818	journal	June 1999
High-resolution pulsed field ionization photoelectron-photoion coincidence spectroscopy using synchrotron radiation Jarvis, G. K.; Weitzel, Karl-Michael; Malow, Marcus Review of Scientific Instruments, Vol. 70, Issue 10 https://doi.org/10.1063/1.1150009	journal	October 1999
One-photon mass-analyzed threshold ionization spectroscopy of 1- and 2-iodopropanes in vacuum ultraviolet Park, Sang Tae; Kim, Sang Kyu; Kim, Myung Soo The Journal of Chemical Physics, Vol. 114, Issue 13 https://doi.org/10.1063/1.1353548	journal	April 2001
High-resolution energy-selected study of the reaction NH3+→NH2++H: Accurate thermochemistry for the NH2/NH2+ and NH3/NH3+ systems Song, Y.; Qian, X. -M.; Lau, K. -C. The Journal of Chemical Physics, Vol. 115, Issue 6 https://doi.org/10.1063/1.1385523	journal	August 2001
High-resolution energy-selected study of the reaction CH3X+→CH3++X: Accurate thermochemistry for the CH3X/CH3X+ (X=Br, I) system Song, Y.; Qian, X. -M.; Lau, K. -C. The Journal of Chemical Physics, Vol. 115, Issue 9 https://doi.org/10.1063/1.1391268	journal	September 2001
Unimolecular decay pathways of state-selected CO2+ in the internal energy range of 5.2–6.2 eV: An experimental and theoretical study Liu, Jianbo; Chen, Wenwu; Hochlaf, M. The Journal of Chemical Physics, Vol. 118, Issue 1 https://doi.org/10.1063/1.1524180	journal	January 2003
Photoionization of CH ₃ ; Heat of Formation of CH ₂ Chupka, W. A.; Lifshitz, Chava The Journal of Chemical Physics, Vol. 48, Issue 3 https://doi.org/10.1063/1.1668771	journal	February 1968
Mass‐Spectrometric Study of the Photoionization of Methane Chupka, William A. The Journal of Chemical Physics, Vol. 48, Issue 5 https://doi.org/10.1063/1.1669433	journal	March 1968
Photoelectron Spectra of Methane, Silane, Germane, Methyl Fluoride, Difluoromethane, and Trifluoromethane Pullen, B. P.; Carlson, Thomas A.; Moddeman, W. E. The Journal of Chemical Physics, Vol. 53, Issue 2 https://doi.org/10.1063/1.1674057	journal	July 1970
Electronic Energies and Electronic Structures of the Fluoromethanes Brundle, C. R.; Robin, M. B.; Basch, Harold The Journal of Chemical Physics, Vol. 53, Issue 6 https://doi.org/10.1063/1.1674313	journal	September 1970
Photoionization of Methane: Ionization Potential and Proton Affinity of CH ₄ Chupka, W. A.; Berkowitz, J. The Journal of Chemical Physics, Vol. 54, Issue 10 https://doi.org/10.1063/1.1674669	journal	May 1971
Experimental Relative Franck–Condon Factors for the Ionization of Methane, Ethane, and Propane Stockbauer, Roger; Inghram, Mark G. The Journal of Chemical Physics, Vol. 54, Issue 5 https://doi.org/10.1063/1.1675158	journal	March 1971
Vacuum ultraviolet pulsed field ionization study of ND3: Accurate thermochemistry for the ND2–ND2+ and ND3–ND3+ system Qian, X. -M.; Lau, K. -C.; He, G. Z. The Journal of Chemical Physics, Vol. 120, Issue 18 https://doi.org/10.1063/1.1691406	journal	May 2004
Mass‐Spectrometric Study of Photoionization. III. Methane and Methane‐ d ₄ Dibeler, Vernon H.; Krauss, Morris; Reese, Robert M. The Journal of Chemical Physics, Vol. 42, Issue 11 https://doi.org/10.1063/1.1695818	journal	June 1965
Photoionization‐Efficiency Curves. II. False and Genuine Structure Nicholson, A. J. C. The Journal of Chemical Physics, Vol. 43, Issue 4 https://doi.org/10.1063/1.1696898	journal	August 1965
Photo‐ionization of Alkyl Free Radicals Elder, Fred A.; Giese, Clayton; Steiner, Bruce The Journal of Chemical Physics, Vol. 36, Issue 12 https://doi.org/10.1063/1.1732459	journal	June 1962
A high-resolution pulsed field ionization-photoelectron-photoion coincidence study of vinyl bromide Qian, X. M.; Lau, K. C.; Ng, C. Y. The Journal of Chemical Physics, Vol. 120, Issue 23 https://doi.org/10.1063/1.1739402	journal	June 2004
Pulsed field-ionization photoelectron-photoion coincidence study of the process N2+hν→N++N+e−: Bond dissociation energies of N2 and N2+ Tang, Xiaonan; Hou, Yu; Ng, C. Y. The Journal of Chemical Physics, Vol. 123, Issue 7 https://doi.org/10.1063/1.1995699	journal	August 2005
Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy Schulenburg, A. M.; Alcaraz, Ch.; Grassi, G. The Journal of Chemical Physics, Vol. 125, Issue 10 https://doi.org/10.1063/1.2348875	journal	September 2006
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions Karton, Amir; Rabinovich, Elena; Martin, Jan M. L. The Journal of Chemical Physics, Vol. 125, Issue 14 https://doi.org/10.1063/1.2348881	journal	October 2006
Jahn-Teller effect in tetrahedral symmetry: Large-amplitude tunneling motion and rovibronic structure of CH4+ and CD4+ Wörner, H. J.; Qian, X.; Merkt, F. The Journal of Chemical Physics, Vol. 126, Issue 14 https://doi.org/10.1063/1.2712840	journal	April 2007
Combined vacuum ultraviolet laser and synchrotron pulsed field ionization study of CH2BrCl Li, Juan; Yang, Jie; Mo, Yuxiang The Journal of Chemical Physics, Vol. 126, Issue 18 https://doi.org/10.1063/1.2730829	journal	May 2007
High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview Harding, Michael E.; Vázquez, Juana; Ruscic, Branko The Journal of Chemical Physics, Vol. 128, Issue 11 https://doi.org/10.1063/1.2835612	journal	March 2008
Imaging photoelectron photoion coincidence spectroscopy with velocity focusing electron optics Bodi, Andras; Johnson, Melanie; Gerber, Thomas Review of Scientific Instruments, Vol. 80, Issue 3 https://doi.org/10.1063/1.3082016	journal	March 2009
Communication: Rovibrationally selected study of the N2+(X; v+ = 1, N+ = 0−8) + Ar charge transfer reaction using the vacuum ultraviolet laser pulsed field ionization-photoion method Chang, Yih Chung; Xu, Hong; Xu, Yuntao The Journal of Chemical Physics, Vol. 134, Issue 20 https://doi.org/10.1063/1.3596748	journal	May 2011
Enthalpy of formation of methyl and methylene radicals of photoionization studies of methane and ketene McCulloh, K. E.; Dibeler, Vernon H. The Journal of Chemical Physics, Vol. 64, Issue 11 https://doi.org/10.1063/1.432123	journal	June 1976
Observation of the infrared spectrum of methyl cation CH ⁺ ₃ Crofton, Mark W.; Kreiner, Welf A.; Jagod, Mary‐Frances The Journal of Chemical Physics, Vol. 83, Issue 7 https://doi.org/10.1063/1.449125	journal	October 1985
The ionization potentials of CH ₄ and CD ₄ Berkowitz, J.; Greene, J. P.; Cho, H. The Journal of Chemical Physics, Vol. 86, Issue 2 https://doi.org/10.1063/1.452268	journal	January 1987
A theoretical analysis of the Jahn–Teller effect in the photoelectron spectrum of methane Takeshita, Kouichi The Journal of Chemical Physics, Vol. 86, Issue 1 https://doi.org/10.1063/1.452622	journal	January 1987
Infrared spectroscopy of carbo‐ions. III. ν ₃ band of methyl cation CH ⁺ ₃ Crofton, Mark W.; Jagod, Mary‐Frances; Rehfuss, Brent D. The Journal of Chemical Physics, Vol. 88, Issue 2 https://doi.org/10.1063/1.454194	journal	January 1988
Mass analyzed threshold ionization spectroscopy Zhu, Langchi; Johnson, Philip The Journal of Chemical Physics, Vol. 94, Issue 8 https://doi.org/10.1063/1.460460	journal	April 1991
Rotationally resolved threshold photoelectron spectrum of the methyl radical Blush, Joel A.; Chen, Peter; Wiedmann, Ralph T. The Journal of Chemical Physics, Vol. 98, Issue 4 https://doi.org/10.1063/1.464077	journal	February 1993
Factors affecting lifetimes and resolution of Rydberg states observed in zero‐electron‐kinetic‐energy spectroscopy Chupka, William A. The Journal of Chemical Physics, Vol. 98, Issue 6 https://doi.org/10.1063/1.465011	journal	March 1993
Rotationally resolved photoionization of polyatomic hydrides: CH ₃ , H ₂ O, H ₂ S, H ₂ CO Wiedmann, Ralph T.; White, Michael G.; Wang, Kwanghsi The Journal of Chemical Physics, Vol. 100, Issue 7 https://doi.org/10.1063/1.466264	journal	April 1994
A high resolution pulsed field ionization photoelectron study of O2 using third generation undulator synchrotron radiation Hsu, C. -W.; Heimann, P.; Evans, M. The Journal of Chemical Physics, Vol. 106, Issue 21 https://doi.org/10.1063/1.473956	journal	June 1997
Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: Charge transfer reaction of N2+(X 2Σg+; v+ = 0–2; N+ = 0–9) + Ar Chang, Yih Chung; Xu, Yuntao; Lu, Zhou The Journal of Chemical Physics, Vol. 137, Issue 10 https://doi.org/10.1063/1.4750248	journal	September 2012
Evidence of rotational autoionization in the threshold region of the photoionization spectrum of CH3 Litorja, Maritoni; Ruscic, Branko The Journal of Chemical Physics, Vol. 107, Issue 23 https://doi.org/10.1063/1.475282	journal	December 1997
Communication: Rovibrationally selected absolute total cross sections for the reaction H ₂ O ⁺ ( X ² B ₁ ; v ₁ ⁺ v ₂ ⁺ v ₃ ⁺ = 000; N ⁺ _K _{a+ K c+)} + D ₂ : Observation of the rotational enhancement effect Xu, Yuntao; Xiong, Bo; Chang, Yih Chung The Journal of Chemical Physics, Vol. 137, Issue 24 https://doi.org/10.1063/1.4773099	journal	December 2012
The first rotationally resolved spectrum of CH4+ Signorell, R.; Merkt, F. The Journal of Chemical Physics, Vol. 110, Issue 5 https://doi.org/10.1063/1.477965	journal	February 1999
High-resolution pulsed field ionization photoelectron–photoion coincidence study of CH4: Accurate 0 K dissociation threshold for CH3+ Weitzel, Karl-Michael; Malow, Marcus; Jarvis, G. K. The Journal of Chemical Physics, Vol. 111, Issue 18 https://doi.org/10.1063/1.480169	journal	November 1999
The translational, rotational, and vibrational energy effects on the chemical reactivity of water cation H ₂ O ⁺ ( X ² B ₁ ) in the collision with deuterium molecule D ₂ Xu, Yuntao; Xiong, Bo; Chang, Yih Chung The Journal of Chemical Physics, Vol. 139, Issue 2 https://doi.org/10.1063/1.4812774	journal	July 2013
IS HO ⁺ ₂ A DETECTABLE INTERSTELLAR MOLECULE? Widicus Weaver, Susanna L.; Woon, David E.; Ruscic, Branko The Astrophysical Journal, Vol. 697, Issue 1 https://doi.org/10.1088/0004-637X/697/1/601	journal	May 2009
The Jahn-Teller Effect in the Electron Spectrum of Methane Rabalais, J. W.; Bergmark, T.; Werme, L. O. Physica Scripta, Vol. 3, Issue 1 https://doi.org/10.1088/0031-8949/3/1/004	journal	January 1971
Active Thermochemical Tables: thermochemistry for the 21st century Ruscic, Branko; Pinzon, Reinhardt E.; Laszewski, Gregor von Journal of Physics: Conference Series, Vol. 16 https://doi.org/10.1088/1742-6596/16/1/078	journal	January 2005
The Photoelectron Spectra of Methane, Silane, Germane and Stannane Potts, A. W.; Price, W. C. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 326, Issue 1565 https://doi.org/10.1098/rspa.1972.0003	journal	January 1972
Observation of Accurate Ion Dissociation Thresholds in Pulsed Field Ionization-Photoelectron Studies Weitzel, Karl-Michael; Jarvis, G. K.; Malow, Marcus Physical Review Letters, Vol. 86, Issue 16 https://doi.org/10.1103/PhysRevLett.86.3526	journal	April 2001
Jahn-Teller Effect in the Methane Cation: Rovibronic Structure and the Geometric Phase Wörner, H. J.; van der Veen, R.; Merkt, F. Physical Review Letters, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevLett.97.173003	journal	October 2006
ABSORPTION SPECTRUM OF FREE CH ₃ AND CD ₃ RADICALS Herzberg, G.; Shoosmith, J. Canadian Journal of Physics, Vol. 34, Issue 5 https://doi.org/10.1139/p56-059	journal	May 1956
Infrared spectrum of CH ₃ ⁺ involving high rovibrationai levels Jagod, Mary-Frances; Gabrys, Charles M.; Rösslein, Matthias Canadian Journal of Physics, Vol. 72, Issue 11-12 https://doi.org/10.1139/p94-153	journal	November 1994
Photoionization and Photodetachment Ng, Cheuk-Yiu Advanced Series in Physical Chemistry https://doi.org/10.1142/4118	book	June 2000
State-to-State Spectroscopy and Dynamics of Ions and Neutrals by Photoionization and Photoelectron Methods Ng, Cheuk-Yiu Annual Review of Physical Chemistry, Vol. 65, Issue 1 https://doi.org/10.1146/annurev-physchem-040412-110002	journal	April 2014
V ACUUM U LTRAVIOLET S PECTROSCOPY AND C HEMISTRY BY P HOTOIONIZATION AND P HOTOELECTRON M ETHODS Ng, Cheuk-Yiu Annual Review of Physical Chemistry, Vol. 53, Issue 1 https://doi.org/10.1146/annurev.physchem.53.082001.144416	journal	October 2002
Guidelines for evaluating and expressing the uncertainty of NIST measurement results Taylor, B. N. NIST Technical Note 1297 1994 Edition https://doi.org/10.6028/NIST.TN.1297	report	January 1994

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Vacuum ultraviolet laser pulsed field ionization photoelectron studies of polyatomic species: Accurate ionization energies of CH{sub 3}SH and CH{sub 3}CH{sub 2}SH

Journal Article · Sat Aug 01 04:00:00 UTC 1998 · Journal of Chemical Physics · OSTI ID:639057

Cheung, Y; Huang, J; Ng, C Y

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
active thermochemical tables
dissociative ionization
photoionization
thermochemistry

Title: A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): Determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and CH4+

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Title: A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH₄): Determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH₄ and CH₄⁺