Ethyne, chloro-
- Formula: C2HCl
- Molecular weight: 60.482
- IUPAC Standard InChIKey: DIWKDXFZXXCDLF-UHFFFAOYSA-N
- CAS Registry Number: 593-63-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetylene, chloro-; Chloroacetylene; Chloroethyne; Ethynyl chloride; Monochloroacetylene; C2HCl; 1-Chloroacetylene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2HCl+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.60 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.6 | PE | Maier and Thommen, 1984 | LBLHLM |
10.58 ± 0.02 | PE | Allan, Kloster-Jensen, et al., 1977 | LLK |
11.044 ± 0.004 | S | Evans, Scheps, et al., 1973 | LLK |
10.7 ± 0.1 | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
10.63 | PE | Haink, Heilbronner, et al., 1970 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CCl+ | 17.2 ± 0.1 | CH | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
CH+ | 18.7 ± 0.2 | CCl | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
C2Cl+ | 15.8 ± 0.1 | H | PE | Allan, Kloster-Jensen, et al., 1977 | Unpublished result of H. Baumgartel, E. Kloster-Jensen, W. Lohr, J.P. Maier, H. Oertel, and H. Schenk; LLK |
C2H+ | 16.24 | Cl | PI | Eland, 1979 | Unpublished result of S.I.Miller and J.Berkowitz; LLK |
C2H+ | 15.8 ± 0.1 | Cl | PE | Allan, Kloster-Jensen, et al., 1977 | Unpublished result of H. Baumgartel, E. Kloster-Jensen, W. Lohr, J.P. Maier, H. Oertel, and H. Schenk; LLK |
Cl+ | 17.97 | C2H | PI | Eland, 1979 | Unpublished result of S.I.Miller and J.Berkowitz; LLK |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: Takehiko Shimanouchi
Symmetry: C∞ν Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
σ+ | 1 | CH str | 3340 | B | 3340 VS | gas | ||||
σ+ | 2 | CC str | 2110 | B | 2110 VS | gas | ||||
σ+ | 3 | CCl str | 756 | B | 756 VS | gas | ||||
π | 4 | CH bend | 604 | B | 604 S | gas | ||||
π | 5 | CCCl bend | 326 | B | 326 W | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
W | Weak |
B | 1~3 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 320. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Maier and Thommen, 1984
Maier, J.P.; Thommen, F.,
Relaxation dynamics of open-shell cations studied by photoelectron-photon coincidence spectroscopy,
Gas Phase Ion Chem., 1984, 3, 357. [all data]
Allan, Kloster-Jensen, et al., 1977
Allan, M.; Kloster-Jensen, E.; Maier, J.P.,
Emission spectra of Cl-C≡C-H+, Br-C≡C-H+ and I-C≡C-H+ radical cations: A2Π → X.2Π band systems and the decay of the A2Π states,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1406. [all data]
Evans, Scheps, et al., 1973
Evans, K.; Scheps, R.; Rice, S.A.; Heller, D.,
Primary photochemical and photophysical processes in chloro- and bromo-acetylene,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 856. [all data]
Kloster-Jensen, Pascual, et al., 1970
Kloster-Jensen, E.; Pascual, C.; Vogt, J.,
Mass spectrometric studies of mono- and di-haloacetylenes,,
Helv. Chim. Acta, 1970, 53, 2109. [all data]
Haink, Heilbronner, et al., 1970
Haink, H.J.; Heilbronner, E.; Hornung, V.; KlosterJensen, E.,
Die Photoelektron-Spektren der Monohalogenacetylene,
Helv. Chim. Acta, 1970, 53, 1073. [all data]
Eland, 1979
Eland, J.H.D.,
Dissociations of state-selected C2H2+, H2S+ and D2S+ ions studied by photoelectron-photoion coincidence spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1979, 31, 161. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.