zirconium tetrafluoride
- Formula: F4Zr
- Molecular weight: 167.218
- IUPAC Standard InChI: InChI=1S/4FH.Zr/h4*1H;/p-1
- IUPAC Standard InChIKey: NLGFRLRLBUOAEJ-UHFFFAOYSA-M
- CAS Registry Number: 7783-64-4
- Chemical structure:
This structure is also available as a 2d Mol file - Information on this page:
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Gas phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -400.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 76.336 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1975 |
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 | 24.95619 |
| B | 0.742436 |
| C | -0.200215 |
| D | 0.017034 |
| E | -0.391898 |
| F | -408.7861 |
| G | 104.1200 |
| H | -400.0000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1975 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= (
•
)
By formula: F- + F4Zr = (F- • F4Zr)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 99.3 ± 2.0 | kcal/mol | TDEq | Skokan, Sorokin, et al., 1982 | gas phase; Fluoride Affinity: 22±1 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention |
| ΔrH° | 96.3 ± 1.0 | kcal/mol | TDEq | Skokan, Nikitin, et al., 1981 | gas phase; Fluoride Affinity: 23.12 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention |
By formula: F5Zr- + F4Zr = F9Zr2-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.2 ± 1.0 | kcal/mol | TDAs | Skokan, Sorokin, et al., 1982 | gas phase; value altered from reference due to conversion from electron convention to ion convention |
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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| ZrF+ | 29.4 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 | |
| ZrF2+ | 23.4 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 | |
| ZrF3+ | 14.5 ± 0.5 | F | EI | Murad and Hildenbrand, 1966 | |
| Zr+ | 29.5 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 |
References
Go To: Top, Gas phase thermochemistry data, Reaction 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]
Skokan, Sorokin, et al., 1982
Skokan, E.V.; Sorokin, I.D.; Sidorov, L.N.; Nikitin, M.I.,
Mass Spectrometric Determination of the Enthalpies of Dissociation of Gaseous Complex Fluorides into Neutral and Charged Particles. VI. Enthalpy of Formation of ZrF5-,
Int. J. Mass Spectrom. Ion Phys., 1982, 43, 4, 209, https://doi.org/10.1016/0020-7381(82)80017-X
. [all data]
Skokan, Nikitin, et al., 1981
Skokan, E.V.; Nikitin, M.I.; Sorokin, I.D.; Gusarov, A.V.; Sidirov, L.N.,
Determination of the heat of formation of the tetrafluoroscandate and pentfluorozirconate ions by the effusion nethod,
Russ. J. Phys. Chem., 1981, 55, 1062. [all data]
Murad and Hildenbrand, 1966
Murad, E.; Hildenbrand, D.L.,
Mass-spectrometric study of the thermodynamic properties of Zr-F species,
J. Chem. Phys., 1966, 45, 4751. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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