Acetylene ion
- Formula: C2H2+
- Molecular weight: 26.0367
- CAS Registry Number: 25641-79-6
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94.6 | kJ/mol | PI | Ono and Ng, 1982 | gas phase |
Ion clustering data
Go To: Top, Reaction thermochemistry data, 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
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
By formula: C2H2+ + C2H2 = (C2H2+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 94.6 | kJ/mol | PI | Ono and Ng, 1982 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Ion clustering 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: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 92460 ± 80 | gas | Carlsson Gothe, Chau, et al., 1990 | |||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 2 | CC stretch | 1370 | T | gas | PE | Carlsson Gothe, Chau, et al., 1990 |
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 56380 ± 80 | gas | Baker and Turner, 1968 | |||||
Reutt, Wang, et al., 1986 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σg+ | 1 | CC stretch | 2500 ± 20 | gas | PE | Baker and Turner, 1968 Reutt, Wang, et al., 1986 | |
2 | CH s-stretch | 1815 ± 20 | gas | PE | Baker and Turner, 1968 Reutt, Wang, et al., 1986 | ||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 39109.7 ± 1.0 | gas | A-X | 240 | 255 | Reutt, Wang, et al., 1986 | ||
Cha, Weinkauf, et al., 1995 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
ag | 1 | CH s-stretch | 2530 ± 20 | gas | PE | Reutt, Wang, et al., 1986 | |
2 | CC stretch | 1730 ± 20 | gas | PE | Reutt, Wang, et al., 1986 | ||
3 | Bend | 793 | gas | MPD | Cha, Weinkauf, et al., 1995 | ||
au | 4 | Torsion | 282 | H | gas | MPD | Cha, Weinkauf, et al., 1995 |
bu | 6 | Bend | 436 | H | gas | MPD | Cha, Weinkauf, et al., 1995 |
State: X
Additional references: Jacox, 1994, page 133; Jacox, 1998, page 221; Jacox, 2003, page 164; Dibeler, Walker, et al., 1973; Rupper and Merkt, 2004
Notes
H | (1/2)(2ν) |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
A | 0~1 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Ion clustering 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.
Ono and Ng, 1982
Ono, Y.; Ng, C.Y.,
A Study of the Unimolecular Decomposition of the (C2H2)2+ Complex,
J. Chem. Phys., 1982, 77, 6, 2947, https://doi.org/10.1063/1.444216
. [all data]
Carlsson Gothe, Chau, et al., 1990
Carlsson Gothe, M.; Chau, F.T.; Baltzer, P.; Svensson, S.; Wannberg, B.; Karlsson, L.,
Vibrationally resolved study of the fourth photoelectron band of acetylene at 23.5 eV,
Chem. Phys. Lett., 1990, 174, 2, 109, https://doi.org/10.1016/0009-2614(90)80091-Q
. [all data]
Baker and Turner, 1968
Baker, C.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes,
Proc. Roy. Soc. (London), 1968, A308, 19. [all data]
Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.,
Photoelectron spectroscopy and inferred femtosecond intramolecular dynamics of C2H+2 and C2D+2,
J. Chem. Phys., 1986, 84, 6, 3022, https://doi.org/10.1063/1.450283
. [all data]
Cha, Weinkauf, et al., 1995
Cha, Ch.; Weinkauf, R.; Boesl, U.,
Laser spectroscopy of molecular ions: The A--X transition of the acetylene radical cation,
J. Chem. Phys., 1995, 103, 13, 5224, https://doi.org/10.1063/1.470558
. [all data]
Dopfer, Olkhov, et al., 2004
Dopfer, O.; Olkhov, R.V.; Mladenovic, M.; Botschwina, P.,
Intermolecular interaction in an open-shell π-bound cationic complex: IR spectrum and coupled cluster calculations for C[sub 2]H[sub 2][sup +]-Ar,
J. Chem. Phys., 2004, 121, 4, 1744, https://doi.org/10.1063/1.1765091
. [all data]
Relph, Bopp, et al., 2009
Relph, R.A.; Bopp, J.C.; Roscioli, J.R.; Johnson, M.A.,
Structural characterization of (C[sub 2]H[sub 2])[sub 1--6]+] cluster ions by vibrational predissociation spectroscopy,
J. Chem. Phys., 2009, 131, 11, 114305, https://doi.org/10.1063/1.3212595
. [all data]
Yang and Mo, 2006
Yang, J.; Mo, Y.,
Renner-Teller Effect in C,
J. Phys. Chem. A, 2006, 110, 38, 11001, https://doi.org/10.1021/jp063209t
. [all data]
Crofton, Jagod, et al., 1987
Crofton, M.W.; Jagod, M.-F.; Rehfuss, B.D.; Oka, T.,
Infrared spectra of carboions. II. ν3 band of acetylene ion C2H+2(2Πu),
J. Chem. Phys., 1987, 86, 6, 3755, https://doi.org/10.1063/1.451929
. [all data]
Jagod, Rosslein, et al., 1992
Jagod, M.-F.; Rosslein, M.; Gabrys, C.M.; Rehfuss, B.D.; Scappini, F.; Crofton, M.W.; Oka, T.,
Infrared spectroscopy of carbo-ions. VI. C--H stretching vibration of the acetylene ion C2H2+ and isotopic species,
J. Chem. Phys., 1992, 97, 10, 7111, https://doi.org/10.1063/1.463536
. [all data]
Schlemmer, Asvany, et al., 2005
Schlemmer, S.; Asvany, O.; Giesen, T.,
Comparison of the cis-bending and C?H stretching vibration on the reaction of C2H2+ with H2 using laser induced reactions,
Phys. Chem. Chem. Phys., 2005, 7, 7, 1592, https://doi.org/10.1039/b418495p
. [all data]
Forney, Jacox, et al., 1992
Forney, D.; Jacox, M.E.; Thompson, W.E.,
The vibrational spectra of molecular ions isolated in solid neon: HCCH+ and HCC-,
J. Mol. Spectrosc., 1992, 153, 1-2, 680, https://doi.org/10.1016/0022-2852(92)90502-F
. [all data]
Andrews, Kushto, et al., 1999
Andrews, L.; Kushto, G.P.; Zhou, M.; Willson, S.P.; Souter, P.F.,
Infrared spectrum of CCH[sup +] in solid argon and neon,
J. Chem. Phys., 1999, 110, 9, 4457, https://doi.org/10.1063/1.478329
. [all data]
Jacox and Olson, 1987
Jacox, M.E.; Olson, W.B.,
The A 2Π--X 2Σ+ transition of HC2 isolated in solid argon,
J. Chem. Phys., 1987, 86, 6, 3134, https://doi.org/10.1063/1.452024
. [all data]
Pratt, Dehmer, et al., 1991
Pratt, S.T.; Dehmer, P.M.; Dehmer, J.L.,
Photoelectron spectroscopy from the A 1Au state of acetylene: The bending vibrations of C2H+2 X 2Πu,
J. Chem. Phys., 1991, 95, 9, 6238, https://doi.org/10.1063/1.461570
. [all data]
Pratt, Dehmer, et al., 1993
Pratt, S.T.; Dehmer, P.M.; Dehmer, J.L.,
Zero-kinetic-energy photoelectron spectroscopy from the A 1Au state of acetylene: Renner--Teller interactions in the trans-bending vibration of C2H+2 X 2Πu,
J. Chem. Phys., 1993, 99, 9, 6233, https://doi.org/10.1063/1.465888
. [all data]
Tang, Chou, et al., 2006
Tang, S.-J.; Chou, Y.-C.; Lin, J.J.; Hsu, Y.-C.,
The bending vibrational levels of the acetylene cation: A case study of the Renner-Teller effect in a molecule with two degenerate bending vibrations,
J. Chem. Phys., 2006, 125, 13, 133201, https://doi.org/10.1063/1.2199827
. [all data]
Asvany, Giesen, et al., 2005
Asvany, O.; Giesen, T.; Redlich, B.; Schlemmer, S.,
Experimental Determination of the ν5 Cis-Bending Vibrational Frequency and Renner-Teller Structure in Ground State (X2Πu) C2H2+ Using Laser Induced Reactions,
Phys. Rev. Lett., 2005, 94, 7, 073001, https://doi.org/10.1103/PhysRevLett.94.073001
. [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]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Dibeler, Walker, et al., 1973
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.,
Observations on hot bands in the molecular and dissociative photoionization of acetylene and the heat of formation of the ethynyl ion,
J. Chem. Phys., 1973, 59, 2264. [all data]
Rupper and Merkt, 2004
Rupper, P.; Merkt, F.,
Intense narrow-bandwidth extreme ultraviolet laser system tunable up to 20 eV,
Rev. Sci. Instrum., 2004, 75, 3, 613, https://doi.org/10.1063/1.1646744
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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