Ethane-d6
- Formula: C2D6
- Molecular weight: 36.1060
- CAS Registry Number: 1632-99-1
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Gas phase ion energetics 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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.73 ± 0.06 | EI | D'Or, Collin, et al., 1966 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CD3+ | 15.54 ± 0.10 | CD3 | EI | D'Or, Collin, et al., 1966 | RDSH |
| C2D2+ | 14.8 | 2D2 | PE | Stockbauer, 1973 | LLK |
| C2D2+ | 15.70 ± 0.20 | 2D2 | EI | D'Or, Collin, et al., 1966 | RDSH |
| C2D3+ | 14.8 | D2+D | PE | Stockbauer, 1973 | LLK |
| C2D3+ | 15.6 ± 0.1 | D2+D | EI | D'Or, Collin, et al., 1966 | RDSH |
| C2D4+ | 12.58 ± 0.08 | D2 | EI | D'Or, Collin, et al., 1966 | RDSH |
| C2D5+ | 13.52 ± 0.03 | D | EI | D'Or, Collin, et al., 1966 | RDSH |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: D3d Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1g | 1 | CD3 s-str | 2083 | B | ia | 2083.0 | gas | |||
| a1g | 2 | CD3 s-deform | 1155 | A | ia | 1154.5 | gas | |||
| a1g | 3 | CC str | 843 | A | ia | 843.0 | gas | |||
| a1u | 4 | Torsion | 208 | B | 208 | gas | ia | |||
| a2u | 5 | CD3 s-str | 2087 | B | 2087.4 | gas | ia | |||
| a2u | 6 | CD3 s-deform | 1077 | B | 1077.1 | gas | ia | |||
| eg | 7 | CD3 d-str | 2226 | A | ia | 2225.6 | gas | |||
| eg | 8 | CD3 d-deform | 1041 | B | ia | 1041 | gas | |||
| eg | 9 | CD3 rock | 970 | C | ia | 970 | liq. | |||
| eu | 10 | CD3 d-str | 2235 | B | 2235 | gas | ia | |||
| eu | 11 | CD3 d-deform | 1081 | B | 1080.9 | gas | ia | |||
| eu | 12 | CD3 rock | 594 | A | 594.4 | gas | ia | |||
Source: Shimanouchi, 1972
Notes
| ia | Inactive |
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
D'Or, Collin, et al., 1966
D'Or, L.; Collin, J.E.; Longree, J.,
Ionisation et dissociation de l'ethane sous l'impact electronique. Spectres de masse et phenomenes d'echange dans C2H6, C2H5D, CH3CD3 et C2D6,
Bull. Classe Sci. Acad. Roy. Belg., 1966, 52, 518. [all data]
Stockbauer, 1973
Stockbauer, R.,
Threshold electron-photoion coincidence mass spectrometric study of CH4, CD4, C2H6, and C2H6,
J. Chem. Phys., 1973, 58, 3800. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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