Methanediylium anion


Gas phase thermochemistry 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 by: John E. Bartmess

Quantity Value Units Method Reference Comment
Δfgas78.47 ± 0.40kcal/molR-EALeopold, Murray, et al., 1985Singlet-triplet splitting of CH2 = 9.0 kcal
Δfgas<78.4 ± 9.2kcal/molEIAECollin and Locht, 1970From ketene
Δfgas<69.30kcal/molEIAETrepka and Neuert, 1963From CH4

Reaction thermochemistry 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 by: John E. Bartmess

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Individual Reactions

CH2- + Hydrogen cation = Methyl cation

By formula: CH2- + H+ = CH3+

Quantity Value Units Method Reference Comment
Δr409.11 ± 0.41kcal/molD-EALeopold, Murray, et al., 1985gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal
Quantity Value Units Method Reference Comment
Δr401.42 ± 0.48kcal/molH-TSLeopold, Murray, et al., 1985gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal

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 by: John E. Bartmess

Protonation reactions

CH2- + Hydrogen cation = Methyl cation

By formula: CH2- + H+ = CH3+

Quantity Value Units Method Reference Comment
Δr409.11 ± 0.41kcal/molD-EALeopold, Murray, et al., 1985gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal
Quantity Value Units Method Reference Comment
Δr401.42 ± 0.48kcal/molH-TSLeopold, Murray, et al., 1985gas phase; Singlet-triplet splitting of CH2 = 9.0 kcal

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: Marilyn E. Jacox

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 5260 ± 50 gas Leopold, Murray, et al., 1985
Bunker and Sears, 1985

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 2 Bend 1230 ± 30 gas PE Leopold, Murray, et al., 1985
Bunker and Sears, 1985

Additional references: Jacox, 1994, page 21

Notes

dPhotodissociation threshold

References

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

Leopold, Murray, et al., 1985
Leopold, D.G.; Murray, K.K.; Miller, A.E.S.; Lineberger, W.C., Methylene: A study of the X3B1 and the 1A1 states by photoelectron spectroscopy of CH2- and CD2-, J. Chem. Phys., 1985, 83, 4849. [all data]

Collin and Locht, 1970
Collin, J.E.; Locht, R., Positive and negative ion formation in ketene by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 3, 465. [all data]

Trepka and Neuert, 1963
Trepka, L.v.; Neuert, H., Uber die Entstehenung von Negativen Ionen aus einigen Kohlenwasserstoffen und Alkoholen durch Elektronenstoss, Z. Naturfor., 1963, 18A, 1295. [all data]

Bunker and Sears, 1985
Bunker, P.R.; Sears, T.J., Analysis of the laser photoelectron spectrum of CH-2, J. Chem. Phys., 1985, 83, 10, 4866, https://doi.org/10.1063/1.449747 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

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