1-Chloro-2-iodoacetylene
- Formula: C2ClI
- Molecular weight: 186.379
- IUPAC Standard InChI: InChI=1S/C2ClI/c3-1-2-4
- IUPAC Standard InChIKey: YMWVJNOXQNLIJQ-UHFFFAOYSA-N
- CAS Registry Number: 25604-71-1
- Chemical structure:
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Gas phase ion energetics 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.7 ± 0.1 | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
| 9.44 | PE | Heilbronner, Hornung, et al., 1970 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CCl+ | 17.5 ± 0.1 | CI | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
| CI+ | 16.4 ± 0.1 | CCl | EI | Kloster-Jensen, Pascual, et al., 1970 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics 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: Takehiko Shimanouchi
Symmetry: Cxν Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σ+ | 1 | CC str | 2191 | C | 2191 VS | gas | 2178 VS p | solid solid | ||
| σ+ | 2 | CCl str | 886 | C | 886 VS | gas | 880 VW | solid solid | ||
| σ+ | 3 | CI str | 276 | D | 276 M p | solid solid | ||||
| π | 4 | CCCl deform | 325 | D | 325 VS dp | solid solid | ||||
| π | 5 | CCI deform | 135 | C | 135 S | gas | 145 VW | solid solid | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics 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.
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]
Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Kloster-Jensen, E.,
Die Photoelektron-Spektren der Dihalogen-acetylene,
Helv. Chim. Acta, 1970, 53, 331. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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