zirconium tetrafluoride


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
Δfgas-1673.60kJ/molReviewChase, 1998Data last reviewed in June, 1975
Quantity Value Units Method Reference Comment
gas,1 bar319.39J/mol*KReviewChase, 1998Data 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 (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 6000.
A 104.4167
B 3.106352
C -0.837700
D 0.071272
E -1.639702
F -1710.361
G 435.6381
H -1673.600
ReferenceChase, 1998
Comment Data last reviewed in June, 1975

Reaction 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.

Data compiled by: John E. Bartmess

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Individual Reactions

Fluorine anion + zirconium tetrafluoride = (Fluorine anion • zirconium tetrafluoride)

By formula: F- + F4Zr = (F- • F4Zr)

Quantity Value Units Method Reference Comment
Δr415. ± 8.4kJ/molTDEqSkokan, Sorokin, et al., 1982gas phase; Fluoride Affinity: 22±1 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention
Δr403. ± 4.2kJ/molTDEqSkokan, Nikitin, et al., 1981gas phase; Fluoride Affinity: 23.12 kcal < AlF3; value altered from reference due to conversion from electron convention to ion convention

F5Zr- + zirconium tetrafluoride = F9Zr2-

By formula: F5Zr- + F4Zr = F9Zr2-

Quantity Value Units Method Reference Comment
Δr214. ± 4.2kJ/molTDAsSkokan, Sorokin, et al., 1982gas 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 MethodReferenceComment
ZrF+29.4 ± 0.5?EIMurad and Hildenbrand, 1966 
ZrF2+23.4 ± 0.5?EIMurad and Hildenbrand, 1966 
ZrF3+14.5 ± 0.5FEIMurad and Hildenbrand, 1966 
Zr+29.5 ± 0.5?EIMurad and Hildenbrand, 1966 

References

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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

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