Cyanogen fluoride
- Formula: CFN
- Molecular weight: 45.0158
- CAS Registry Number: 1495-50-7
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Gas phase thermochemistry data
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 35.98 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 225.40 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 600. | 600. to 6000. |
|---|---|---|
| A | 31.47113 | 54.17945 |
| B | 54.06941 | 5.293262 |
| C | -49.18543 | -1.199989 |
| D | 20.80230 | 0.090697 |
| E | -0.129733 | -2.509203 |
| F | 24.15381 | 12.53409 |
| G | 248.6401 | 279.0079 |
| H | 35.98202 | 35.98202 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 13.34 ± 0.02 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 632. | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 601.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.67294 | R-A | Heni, Illenberger, et al., 1986 | From CF3NC. G3MP2B3 calculations indicate an EA of ca. 0.3 eV, HOF(FCN-) = -5 kcal/mol; B |
| >3.9895 | EIAE | Harland, Rankin, et al., 1974 | From PF2CN; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.2 | PE | Asbrink, Svensson, et al., 1981 | LLK |
| 13.34 ± 0.02 | PE | Bieri, 1977 | LLK |
| 13.32 ± 0.01 | PI | Dibeler and Liston, 1967 | RDSH |
| 13.65 | PE | Asbrink, Svensson, et al., 1981 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CF+ | 16.35 | N | PI | Dibeler and Liston, 1967 | RDSH |
| CN+ | 19.21 ± 0.02 | F | PI | Dibeler and Liston, 1967 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Heni, Illenberger, et al., 1986
Heni, M.; Illenberger, E.; Lentz, D.,
The isomers CF3CN and CF3NC. Formation and dissociation of the anions formed on electron attachment,
Int. J. Mass Spectrom. Ion Processes, 1986, 71, 199. [all data]
Harland, Rankin, et al., 1974
Harland, P.W.; Rankin, D.W.H.; Thynne, J.C.J.,
Ionisation by Electron Impact of Phosphorus Trifluoride and Difluorocyanophosphine,
Int. J. Mass Spectrom. Ion Phys., 1974, 13, 4, 295, https://doi.org/10.1016/0020-7381(74)83019-6
. [all data]
Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G.,
30.4 nm He(II) photoelectron spectra of organic molecules,
J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]
Bieri, 1977
Bieri, G.,
Cyanogen fluoride: A photoelectron spectroscopic investigation,
Chem. Phys. Lett., 1977, 46, 107. [all data]
Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K.,
Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides,
J. Chem. Phys., 1967, 47, 4548. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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