Propene-d6
- Formula: C3D6
- Molecular weight: 48.1167
- IUPAC Standard InChI: InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3/i1D2,2D3,3D
- IUPAC Standard InChIKey: QQONPFPTGQHPMA-QNYGJALNSA-N
- CAS Registry Number: 1517-52-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, NIST Free Links, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C3D6+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.76 ± 0.01 | PI | Person and Nicole, 1970 |
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: D3h Symmetry Number σ = 6
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1' | 1 | CD2 s-str | 2236 | C | ia | 2236 VS p | liq. | |||
| a1' | 2 | CD2 scis | 1274 | D | ia | 1274 S p | liq. | |||
| a1' | 3 | Ring str | 956 | C | ia | 956 S p | liq. | |||
| a1 | 4 | CD2 twist | 800 | D | 800 ia VW | gas | ia | CF | ||
| a2' | 5 | CD2 wag | 870 | D | 875 ia | sln. | ia | CF, OC(ν5+ν11) | ||
| a2 | 6 | CD2 a-str | 2336 | C | 2336 VS | gas | ia | |||
| a2 | 7 | CD2 rock | 614 | C | 614 W | gas | ia | |||
| e' | 8 | CD2 s-str | 2211 | C | 2211 VS | gas | 2204 W dp | liq. | ||
| e' | 9 | CD2 scis | 1072 | C | 1072 S | gas | 1068 W dp | liq. | ||
| e' | 10 | CD2 wag | 885 | C | 885 M | gas | 884 M dp | liq. | ||
| e' | 11 | Ring deform | 717 | C | 717 VS | gas | 721 M dp | liq. | ||
| e | 12 | CD2 a-str | 2329 | C | ia | 2329 S p | liq. | |||
| e | 13 | CD2 twist | 940 | E | ia | CF, OC(2ν13) | ||||
| e | 14 | CD2 rock | 528 | C | ia | 528 W dp | liq. | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| CF | Calculated frequency |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 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.
Person and Nicole, 1970
Person, J.C.; Nicole, P.P.,
Isotope effects in the photoionization yields and the absorption cross sections for acetylene, propyne, and propene,
J. Chem. Phys., 1970, 53, 1767. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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