Iodine monofluoride
- Formula: FI
- Molecular weight: 145.90287
- IUPAC Standard InChI: InChI=1S/FI/c1-2
- IUPAC Standard InChIKey: PDJAZCSYYQODQF-UHFFFAOYSA-N
- CAS Registry Number: 13873-84-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 | -22.65 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.470 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1965 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 8.770005 |
| B | 0.350421 |
| C | -0.040891 |
| D | 0.003519 |
| E | -0.078260 |
| F | -25.54183 |
| G | 66.54063 |
| H | -22.64799 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1965 |
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:
L - Sharon G. Lias
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to FI+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.54 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| >1.0 ± 0.19 | EIAE | Heni and Illenberger, 1986 | From CF3I. Based on periodic trends, EA is likely to be ca. 2.0 eV; B |
| 2.61382 | N/A | Check, Faust, et al., 2001 | FeCl4-(q); ; ΔS(EA)=5.6; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.54 ± 0.01 | PE | Colbourn, Dyke, et al., 1978 | LLK |
| 10.5 ± 0.3 | EI | Irsa and Friedman, 1958 | RDSH |
| 10.62 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
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]
Heni and Illenberger, 1986
Heni, M.; Illenberger, E.,
Dissociative Electron Attachment to CF3I: An Example of a Completely Unbalanced Excess Energy Distribution,
Chem. Phys. Lett., 1986, 131, 4-5, 314, https://doi.org/10.1016/0009-2614(86)87157-3
. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Colbourn, Dyke, et al., 1978
Colbourn, E.A.; Dyke, J.M.; Fayad, N.K.; Morris, A.,
The He(I) photoelectron spectra of BrF and IF,
J. Electron Spectrosc. Relat. Phenom., 1978, 14, 443. [all data]
Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L.,
Mass spectra of halogen fluorides,
J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]
Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M.,
Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations,
Chem. Phys., 1984, 91, 419. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
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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