Acetylene ion
- Formula: C2H2+
- Molecular weight: 26.0367
- CAS Registry Number: 25641-79-6
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Ion clustering 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
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° | 22.6 | kcal/mol | PI | Ono and Ng, 1982 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, 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, 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, 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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