H2CCO+
- Formula: C2H2O+
- Molecular weight: 42.0361
- CAS Registry Number: 64999-16-2
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Reaction thermochemistry data
Go To: Top, Ion clustering 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. 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: C2H2O+ + H2O = (C2H2O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 | kJ/mol | EI | Postma, Ruttink, et al., 1986 | gas phase; based on AE(CH2CO+)H2O from (HOCH2)2CO+ |
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: C2H2O+ + H2O = (C2H2O+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 | kJ/mol | EI | Postma, Ruttink, et al., 1986 | gas phase; based on AE(CH2CO+)H2O from (HOCH2)2CO+ |
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: E
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 68343 ± 11 | gas | Hall, Maier, et al., 1977 | |||||
Niu, Bai, et al., 1993 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 3 | CH2 scissors | 1177 ± 4 | gas | PE | Hall, Maier, et al., 1977 Niu, Bai, et al., 1993 | |
671 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
397 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
State: D
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 53414 | T | gas | Hall, Maier, et al., 1977 | ||||
Niu, Bai, et al., 1993 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1488 ± 4 | gas | PE | Niu, Bai, et al., 1993 | |||
1164 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
709 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 52037 ± 10 | gas | Baker and Turner, 1969 | |||||
Hall, Maier, et al., 1977 | |||||||
Vogt, Williamson, et al., 1978 | |||||||
Niu, Bai, et al., 1993 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | 1697 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||
3 | CH2 scissors | 1087 ± 4 | gas | PE | Baker and Turner, 1969 Hall, Maier, et al., 1977 Niu, Bai, et al., 1993 | ||
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 40259 ± 10 | gas | Baker and Turner, 1969 | |||||
Hall, Maier, et al., 1977 | |||||||
Vogt, Williamson, et al., 1978 | |||||||
Niu, Bai, et al., 1993 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | CCO a-stretch | 2001 ± 4 | gas | PE | Niu, Bai, et al., 1993 | |
4 | CCO s-stretch | 1001 ± 4 | gas | PE | Baker and Turner, 1969 Hall, Maier, et al., 1977 Niu, Bai, et al., 1993 | ||
347 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 33706 ± 6 | gas | Baker and Turner, 1969 | |||||
Hall, Maier, et al., 1977 | |||||||
Vogt, Williamson, et al., 1978 | |||||||
Niu, Bai, et al., 1993 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1528 ± 4 | gas | PE | Niu, Bai, et al., 1993 | |||
1164 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
690 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||||
b1 | OPLA | 461 ± 4 | gas | PE | Niu, Bai, et al., 1993 | ||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | CCO a-stretch | 2226.5 ± 1.2 | gas | TPE TPI | Hall, Maier, et al., 1977 Vogt, Williamson, et al., 1978 Niu, Bai, et al., 1993 Willitsch, Haldi, et al., 2002 Wang, Shi, et al., 2002 | |
3 | CH2 scissors | 1351.4 ± 2.0 | gas | TPE TPI | Niu, Bai, et al., 1993 Willitsch, Haldi, et al., 2002 Wang, Shi, et al., 2002 | ||
4 | CCO s-stretch | 1021.4 ± 1.2 | gas | TPE TPI | Willitsch, Haldi, et al., 2002 Wang, Shi, et al., 2002 | ||
b1 | 5 | CH2 wag | 745 ± 3 | gas | TPI | Wang, Shi, et al., 2002 | |
6 | CCO bend | 470 ± 3 | gas | TPI | Wang, Shi, et al., 2002 | ||
b2 | 9 | CCO bend | 403 ± 3 | gas | TPI | Wang, Shi, et al., 2002 | |
Additional references: Jacox, 1994, page 250; Jacox, 1998, page 280
Notes
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
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.
Postma, Ruttink, et al., 1986
Postma, R.; Ruttink, P.; Terlouw, J.; Holmes, J.,
The ketene-water radical cation dipole complex [CH2CO.H2O]+,
J. Chem. Soc., Chem. Commun., 1986, 683. [all data]
Hall, Maier, et al., 1977
Hall, D.; Maier, J.P.; Rosmus, P.,
Electronic states of ketene radical cation,
Chem. Phys., 1977, 24, 373. [all data]
Niu, Bai, et al., 1993
Niu, B.; Bai, Y.; Shirley, D.A.,
High resolution He Iα photoelectron spectroscopy of H2CCO and D2CCO using supersonic molecular beams,
Chem. Phys. Lett., 1993, 201, 1-4, 217, https://doi.org/10.1016/0009-2614(93)85059-W
. [all data]
Baker and Turner, 1969
Baker, D.; Turner, D.W.,
J. Chem. Soc. D, 1969, 480. [all data]
Vogt, Williamson, et al., 1978
Vogt, J.; Williamson, A.D.; Beauchamp, J.L.,
Properties and reactions of ketene in the gas phase by ion cyclotron resonance spectroscopy and photoionization mass spectrometry. Proton affinity, site specificity of protonation, and heat of formation of ketene,
J. Am. Chem. Soc., 1978, 100, 3478. [all data]
Willitsch, Haldi, et al., 2002
Willitsch, S.; Haldi, A.; Merkt, F.,
Rovibrational energy level structure of the ground electronic state of CH2CO+ and CD2CO+,
Chem. Phys. Lett., 2002, 353, 1-2, 167, https://doi.org/10.1016/S0009-2614(01)01495-6
. [all data]
Wang, Shi, et al., 2002
Wang, S.; Shi, Y.; Jakubek, Z.J.; Barnett, M.; Simard, B.; Muller-Dethlefs, K.; Liu, C.-P.; Lee, Y.-P.,
Nonresonant two-photon mass analyzed threshold ionization and zero kinetic energy photoelectron investigation of the X [sup 2]B[sub 1] ground state of CH[sub 2]CO[sup +] and CD[sub 2]CO[sup +],
J. Chem. Phys., 2002, 117, 14, 6546, https://doi.org/10.1063/1.1506157
. [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]
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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