Ethylene ion


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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

C2H4+ + Ethane = (C2H4+ • Ethane)

By formula: C2H4+ + C2H6 = (C2H4+ • C2H6)

Quantity Value Units Method Reference Comment
Δr15.3kcal/molPHPMSHiraoka and Kebarle, 1980gas phase
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka and Kebarle, 1980gas phase

C2H4+ + Ethylene = (C2H4+ • Ethylene)

By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)

Quantity Value Units Method Reference Comment
Δr15.8kcal/molPIOno, Linn, et al., 1984gas phase
Δr18.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase

(C2H4+ • Ethylene) + Ethylene = (C2H4+ • 2Ethylene)

By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)

Quantity Value Units Method Reference Comment
Δr4.2kcal/molPICeyer, Tiedemann, et al., 1979gas phase

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:   D


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

To = 67300 gas Baker, Baker, et al., 1968
Branton, Frost, et al., 1970
Brundle and Brown, 1971

State:   C


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

To = 42200 ± 350 gas Baker, Baker, et al., 1968
Branton, Frost, et al., 1970
Brundle and Brown, 1971


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

a 2 CC stretch 1245 ± 20 gas PE Baker, Baker, et al., 1968
Branton, Frost, et al., 1970
Brundle and Brown, 1971
Pollard, Trevor, et al., 1984

State:   B


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

To = 31630 ± 200 gas Baker, Baker, et al., 1968
Branton, Frost, et al., 1970
Brundle and Brown, 1971


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

a 1 CH stretch 1900 ± 100 gas PE Brundle and Brown, 1971

State:   A


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

To = 15660 ± 200 gas Branton, Frost, et al., 1970
Brundle and Brown, 1971


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

a 1 CH stretch 2900 ± 50 gas PE Baker, Baker, et al., 1968
Brundle and Brown, 1971
2 1150 ± 100 gas PE Brundle and Brown, 1971
3 800 ± 100 gas PE Baker, Baker, et al., 1968
Brundle and Brown, 1971

State:   X


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

ag 2 CC stretch 1488.3 ± 0.2 gas PE TPE Dehmer and Dehmer, 1979
Pollard, Trevor, et al., 1984
Willitsch, Hollenstein, et al., 2004
Xing, Bahng, et al., 2006
Xing, Reed, et al., 2008
3 CH2 scissors 1258.7 ± 0.4 gas PE TPE Dehmer and Dehmer, 1979
Pollard, Trevor, et al., 1984
Willitsch, Hollenstein, et al., 2004
au 4 Torsion 84.1 ± 0.2 gas TPE Rijkenberg and Buma, 2002
Willitsch, Hollenstein, et al., 2004
Xing, Bahng, et al., 2006
b3u 7 CH2 OPLA 901.3 ± 0.8 gas TPE Willitsch, Hollenstein, et al., 2004
7 CH2 OPLA 900.9 T b Ne IR Jacox and Thompson, 2011
b2g 8 1103 ± 10 gas TPE Xing, Reed, et al., 2008
b2u 10 813 ± 10 gas TPE Xing, Reed, et al., 2008
b1u 11 CH2 stretch 2978.7 ± 0.2 gas TPE Xing, Bahng, et al., 2006
11 CH2 stretch 3014.4 Ne IR Jacox and Thompson, 2011
12 CH2 bend 1411.7 ± 0.2 gas TPE Xing, Bahng, et al., 2006
Xing, Reed, et al., 2008
12 CH2 bend 1413.8 Ne IR Jacox and Thompson, 2011

Additional references: Jacox, 1994, page 307; Stockbauer and Inghram, 1975; Somasundram and Handy, 1986; Wang, Pollard, et al., 1987

Notes

TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
bBroad

References

Go To: Top, Reaction thermochemistry 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.

Hiraoka and Kebarle, 1980
Hiraoka, K.; Kebarle, P., Ion Molecule Reactions in Ethane. Thermochemistry and Structures of the Intermediate Complexes: C4H11+ and C4H10+ Formed in the Reactions of C2H5+ and C2H4+ with C2H6, Can. J. Chem., 1980, 58, 21, 2262, https://doi.org/10.1139/v80-364 . [all data]

Ono, Linn, et al., 1984
Ono, Y.; Linn, S.H.; Tzeng, W.-B.; Ng, C.Y., A Study of the Unimolecular Decomposition of the (C2H4)2+ Complex, J. Chem. Phys., 1984, 80, 4, 1482, https://doi.org/10.1063/1.446897 . [all data]

Ceyer, Tiedemann, et al., 1979
Ceyer, S.T.; Tiedemann, P.W.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T., Photoionization of Ethylene Clusters, J. Chem. Phys., 1979, 70, 5, 2138, https://doi.org/10.1063/1.437758 . [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; Makita, T.; McDowell, C.A.; Stenhouse, I.A., Photoelectron spectra of ethylene and ethylene-d4, J. Chem. Phys., 1970, 52, 802. [all data]

Brundle and Brown, 1971
Brundle, C.R.; Brown, D.B., The vibrational structure in the photoelectron spectra of ethylene and ethylene-d4, and its relationship to the vibrational spectrum of Zeise's salt K[PtCl3(C2H4)]H2O, Spectrochim. Acta, 1971, 27A, 2491. [all data]

Pollard, Trevor, et al., 1984
Pollard, J.E.; Trevor, D.J.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A., Torsional potential and intramolecular dynamics in the C2H4+ photoelectron spectra, J. Chem. Phys., 1984, 81, 5302. [all data]

Dehmer and Dehmer, 1979
Dehmer, P.M.; Dehmer, J.L., Photoelectron spectroscopy using a supersonic molecular beam source. The 2B3u+e-←1Ag transition in ethylene, J. Chem. Phys., 1979, 70, 10, 4574, https://doi.org/10.1063/1.437280 . [all data]

Willitsch, Hollenstein, et al., 2004
Willitsch, S.; Hollenstein, U.; Merkt, F., Ionization from a double bond: Rovibronic photoionization dynamics of ethylene, large amplitude torsional motion and vibronic coupling in the ground state of C[sub 2]H[sub 4][sup +], J. Chem. Phys., 2004, 120, 4, 1761, https://doi.org/10.1063/1.1635815 . [all data]

Xing, Bahng, et al., 2006
Xing, X.; Bahng, M.-K.; Wang, P.; Lau, K.-C.; Baek, S.J.; Ng, C.Y., Rovibrationally selected and resolved state-to-state photoionization of ethylene using the infrared-vacuum ultraviolet pulsed field ionization-photoelectron method, J. Chem. Phys., 2006, 125, 13, 133304, https://doi.org/10.1063/1.2213261 . [all data]

Xing, Reed, et al., 2008
Xing, X.; Reed, B.; Bahng, M.-K.; Ng, C.Y., Infrared-Vacuum Ultraviolet Pulsed Field Ionization-Photoelectron Study of C, J. Phys. Chem. A, 2008, 112, 12, 2572, https://doi.org/10.1021/jp711684w . [all data]

Rijkenberg and Buma, 2002
Rijkenberg, R.A.; Buma, W.J., High-Resolution Excited-State Photoelectron Spectroscopy of the Lower Rydberg States of Jet-Cooled C, J. Phys. Chem. A, 2002, 106, 15, 3727, https://doi.org/10.1021/jp013714k . [all data]

Jacox and Thompson, 2011
Jacox, M.E.; Thompson, W.E., The infrared spectra of C2H4+ and C2H3 trapped in solid neon, J. Chem. Phys., 2011, 134, 6, 064321, https://doi.org/10.1063/1.3555626 . [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]

Stockbauer and Inghram, 1975
Stockbauer, R.; Inghram, M.G., Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 492. [all data]

Somasundram and Handy, 1986
Somasundram, K.; Handy, N.C., On the assignment of the ν2 and ν3 vibrational levels of C2H+4, J. Chem. Phys., 1986, 84, 5, 2899, https://doi.org/10.1063/1.450320 . [all data]

Wang, Pollard, et al., 1987
Wang, L.; Pollard, J.E.; Lee, Y.T.; Shirley, D.A., Molecular beam photoelectron spectroscopy: The C2D4+(X 2B3) ground state, J. Chem. Phys., 1987, 86, 6, 3216, https://doi.org/10.1063/1.451979 . [all data]


Notes

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