(2H4)methane

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.658 ± 0.015PIBerkowitz, Greene, et al., 1987LBLHLM
12.83PEBrundle, Robin, et al., 1970RDSH
12.882 ± 0.008PINicholson, 1965RDSH
13.1EIFranklin and Munson, 1965RDSH
12.87 ± 0.02PIDibeler, Krauss, et al., 1965RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CD2+15.25 ± 0.04D2PIDibeler, Krauss, et al., 1965RDSH
CD3+14.38 ± 0.03DPIDibeler, Krauss, et al., 1965RDSH
D+22.2 ± 0.1CD3EILocht, Olivier, et al., 1979LLK

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Symmetry:   Td     Symmetry Number σ = 12


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 Sym str 2109  B  ia 2108.9 gas
e 2 Deg deform 1092  B 1092 ia gas 1091.9 gas Observed through Coriolis interaction with ν4
f2 3 Deg str 2259  A 2259.3 gas 2259.3 gas
f2 4 Deg deform 996  B 996.0 gas

Source: Shimanouchi, 1972

Notes

iaInactive
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Berkowitz, Greene, et al., 1987
Berkowitz, J.; Greene, J.P.; Cho, H.; Ruscic, B., The ionization potentials of CH4 and CD4, J. Chem. Phys., 1987, 86, 674. [all data]

Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H., Electronic energies and electronic structures of the fluoromethanes, J. Chem. Phys., 1970, 53, 2196. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Franklin and Munson, 1965
Franklin, J.L.; Munson, M.S.B., Ion-molecule reactions in methane-oxygen and acetylene-oxygen systems, Symp. Combust., 10th, Univ. Cambridge, Cambridge, Engl.,, 1965, 1964, 561. [all data]

Dibeler, Krauss, et al., 1965
Dibeler, V.H.; Krauss, M.; Reese, R.M.; Harllee, F.N., Mass-spectrometric study of photoionization. III. Methane and methane-d4, J. Chem. Phys., 1965, 42, 3791. [all data]

Locht, Olivier, et al., 1979
Locht, R.; Olivier, J.L.; Momigny, J., Dissociative autoionization as a mechanism for the proton formation from methane and methane-d4 by low energy electron impact, Chem. Phys., 1979, 43, 425. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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