Thiocarbonyl fluoride
- Formula: CF2S
- Molecular weight: 82.073
- CAS Registry Number: 420-32-6
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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:
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
View reactions leading to CF2S+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.3 | EI | Binnewies, Grosse, et al., 1985 | LBLHLM |
| 10.52 | PE | Mines, Thomas, et al., 1973 | LLK |
| 10.53 ± 0.10 | EI | Hildenbrand, 1973 | LLK |
| 10.45 ± 0.01 | PE | Kroto and Suffolk, 1972 | LLK |
| 10.64 | PE | Wittel, Hass, et al., 1972 | Vertical value; LLK |
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: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CS str | 1368 | C | 1368 VS | gas | ||||
| a1 | 2 | CF2 s-str | 787 | C | 787 M | gas | ||||
| a1 | 3 | CF2 scis | 526 | C | 526 M | gas | ||||
| b1 | 4 | CF2 a-str | 1189 | C | 1189 S | gas | ||||
| b1 | 5 | CF2 rock | 417 | C | 417 VW | gas | ||||
| b2 | 6 | CF2 wag | 622 | C | 622 W | gas | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| C | 3~6 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.
Binnewies, Grosse, et al., 1985
Binnewies, M.; Grosse, J.; Le Van, D.,
Reaktive E=C(p-p)π-systeme II: Massenspektrometrische untersuchun von F3CP=CF2, F3CAs=CF2, S=CF2 und Se=CF2,
Phosphorus Sulfur, 1985, 21, 349. [all data]
Mines, Thomas, et al., 1973
Mines, G.W.; Thomas, R.K.; Thompson, H.,
The photoelectron spectra of thiocarbonyl fluoride and thiocarbonyl chloride,
Proc. R. Soc. London A:, 1973, 333, 171. [all data]
Hildenbrand, 1973
Hildenbrand, D.L.,
Mass spectrometric studies of some gaseous sulfur fluorides,
J. Phys. Chem., 1973, 77, 897. [all data]
Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J.,
The photoelectron spectrum of and F2CS fluorine substitution shifts,
Chem. Phys. Lett., 1972, 17, 213. [all data]
Wittel, Hass, et al., 1972
Wittel, K.; Hass, A.; Bock, H.,
Photoelektronenspektren und molekuleigenschaften, XVI. Thiocarbonylhalogenide-orbitale und ladungen,
Chem. Ber., 1972, 105, 3865. [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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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