Methylene

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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.

Quantity Value Units Method Reference Comment
Δfgas386.39kJ/molReviewChase, 1998Data last reviewed in December, 1972
Quantity Value Units Method Reference Comment
gas,1 bar193.93J/mol*KReviewChase, 1998Data last reviewed in December, 1972

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1400.1400. to 6000.
A 31.9682351.55901
B 6.7836033.876975
C 12.51890-0.649608
D -5.6962650.037901
E -0.031115-10.72589
F 376.3558350.6715
G 229.9150232.3212
H 386.3924386.3924
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1972 Data last reviewed in December, 1972

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.396 ± 0.003eVN/AN/AL
Quantity Value Units Method Reference Comment
Δf(+) ion1370. ± 10.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K1380. ± 10.kJ/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
0.6520 ± 0.0060LPESLeopold, Murray, et al., 1985Singlet-triplet splitting of CH2 = 9.0 kcal; B
<0.600 ± 0.030PDFeldman, Rackwitz, et al., 1977B
0.210 ± 0.015LPESEngelking, Corderman, et al., 1981Hot band problem; B
0.208 ± 0.031LPESZittel, Ellison, et al., 1976Hot band problem, singlet-triplet splitting = 19.5 kcal; B
>0.90 ± 0.40EIAEThynne and MacNiel, 1971From CH2=CH2; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.35 ± 0.15EIReineke and Strein, 1976LLK
10.5 ± 0.2EINiehaus, 1967RDSH
10.396 ± 0.003SHerzberg, 1961RDSH

De-protonation reactions

CH- + Hydrogen cation = Methylene

By formula: CH- + H+ = CH2

Quantity Value Units Method Reference Comment
Δr1615.2 ± 1.8kJ/molD-EAKasdan, Herbst, et al., 1975gas phase; B
Quantity Value Units Method Reference Comment
Δr1586.9 ± 2.2kJ/molH-TSKasdan, Herbst, et al., 1975gas phase; B

Ion clustering 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:
B - John E. Bartmess
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(CH3- • 4294967295Methylene) + Methylene = CH3-

By formula: (CH3- • 4294967295CH2) + CH2 = CH3-

Quantity Value Units Method Reference Comment
Δr397.4 ± 3.3kJ/molN/AEllison, Engelking, et al., 1978gas phase; B

Cobalt ion (1+) + Methylene = (Cobalt ion (1+) • Methylene)

By formula: Co+ + CH2 = (Co+ • CH2)

Quantity Value Units Method Reference Comment
Δr318. ± 5.0kJ/molCIDTHaynes and Armentrout, 1994RCD

Chromium ion (1+) + Methylene = (Chromium ion (1+) • Methylene)

By formula: Cr+ + CH2 = (Cr+ • CH2)

Quantity Value Units Method Reference Comment
Δr225. ± 7.9kJ/molCIDTGeorgiadis and Armentrout, 1989RCD

Lanthanum ion (1+) + Methylene = (Lanthanum ion (1+) • Methylene)

By formula: La+ + CH2 = (La+ • CH2)

Quantity Value Units Method Reference Comment
Δr411. ± 5.9kJ/molCIDTSunderlin and Armentrout, 1989RCD

Scandium ion (1+) + Methylene = (Scandium ion (1+) • Methylene)

By formula: Sc+ + CH2 = (Sc+ • CH2)

Quantity Value Units Method Reference Comment
Δr411. ± 22.kJ/molCIDTSunderlin and Armentrout, 1989RCD

Yttrium ion (1+) + Methylene = (Yttrium ion (1+) • Methylene)

By formula: Y+ + CH2 = (Y+ • CH2)

Quantity Value Units Method Reference Comment
Δr398. ± 13.kJ/molCIDTSunderlin and Armentrout, 1989RCD

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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]

Feldman, Rackwitz, et al., 1977
Feldman, D.; Rackwitz, R.; Kaiser, H.J.; Heincke, E., Photodetachment bei einigen neagtiven molekulionen: P2-, As2-, CH2-, CH3-, S3-, Z. Naturforsch. A:, 1977, 32, 600. [all data]

Engelking, Corderman, et al., 1981
Engelking, P.E.; Corderman, R.R.; Wenddoski, J.J.; Ellison, G.B.; O'Niel, V.S.; Lineberger, W.C., Laser photoelectron spectroscopy of CH2-, and the singlet-triplet splitting in methylene, J. Chem. Phys., 1981, 74, 5460. [all data]

Zittel, Ellison, et al., 1976
Zittel, P.F.; Ellison, G.B.; O'Neil, S.V.; Herbst, E.; Lineberger, W.C.; Reinhardt, W.P., Laser photoelectron spectrometry of CH2-. Singlet-triplet splitting and electron affinity of CH21, J. Am. Chem. Soc., 1976, 98, 3731. [all data]

Thynne and MacNiel, 1971
Thynne, J.C.J.; MacNiel, K.A.G., Negative ion formation by ethylene and 1,1-difluoroethylene, J. Phys. Chem., 1971, 75, 2584. [all data]

Reineke and Strein, 1976
Reineke, W.; Strein, K., Erzeugung eines methylenhaltigen Molekularstrahls durch Pyrolyse von Keten, Ber. Bunsen-Ges. Phys. Chem., 1976, 80, 343. [all data]

Niehaus, 1967
Niehaus, A., Anregung und Dissoziation von Molekulen beim Elektronenbeschuss. Messung der Bildungswahrscheinlichkeit fur neutrale Fragmente als Funktion der Elektronenenergie., Z. Naturforsch., 1967, 22a, 690. [all data]

Herzberg, 1961
Herzberg, G., The ionization potential of CH2, Can J. Phys., 1961, 39, 1511. [all data]

Kasdan, Herbst, et al., 1975
Kasdan, A.; Herbst, E.; Lineberger, W.C., Laser photoelectron spectrometry of CH2-, Chem. Phys. Lett., 1975, 31, 78. [all data]

Ellison, Engelking, et al., 1978
Ellison, G.B.; Engelking, P.C.; Lineberger, W.C., An experimental determination of the geometry and electron affinity of CH3, J. Am. Chem. Soc., 1978, 100, 2556. [all data]

Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B., Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers, Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022 . [all data]

Georgiadis and Armentrout, 1989
Georgiadis, R.; Armentrout, P.B., Reactions of Ground State Cr+ with C2H6, C2H4, cyclo-C3H6, and cyclo-C2H4O: Bond Energies for CrCHn+ (n= 1-3), Int. J. Mass Spectrom. Ion Proc., 1989, 89, 2-3, 227, https://doi.org/10.1016/0168-1176(89)83062-9 . [all data]

Sunderlin and Armentrout, 1989
Sunderlin, L.S.; Armentrout, P.B., Periodic Trends in Chemical Reactivity: Reactions of Sc+, Y+, La+, and Lu+ with Methane and Ethane, J. Am. Chem. Soc., 1989, 111, 11, 3845, https://doi.org/10.1021/ja00193a015 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References