Ethylene ion
- Formula: C2H4+
- Molecular weight: 28.0526
- CAS Registry Number: 34470-02-5
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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
By formula: C2H4+ + C2H6 = (C2H4+ • C2H6)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 64.0 | kJ/mol | PHPMS | Hiraoka and Kebarle, 1980 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88. | J/mol*K | PHPMS | Hiraoka and Kebarle, 1980 | gas phase |
By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | PI | Ono, Linn, et al., 1984 | gas phase |
ΔrH° | 76.1 | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase |
By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, References, Notes
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
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
b | Broad |
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
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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