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zirconium

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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
Deltafgas610.03kJ/molReviewChase, 1998Data last reviewed in June, 1979
Quantity Value Units Method Reference Comment
gas,1 bar183.02J/mol*KReviewChase, 1998Data last reviewed in June, 1979

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) 4702.633 - 6000.
A 39.48064
B -6.518337
C 2.261315
D -0.194402
E -12.50577
F 578.0196
G 212.2748
H 610.0272
ReferenceChase, 1998
Comment Data last reviewed in June, 1979

Condensed 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
Deltafliquid17.40kJ/molReviewChase, 1998Data last reviewed in June, 1979
Quantity Value Units Method Reference Comment
liquid,1 bar47.60J/mol*KReviewChase, 1998Data last reviewed in June, 1979

Liquid 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) 2125. - 4702.633
A 41.84000
B 3.954064×10-8
C -9.195094×10-9
D 7.208698×10-10
E 4.577756×10-8
F -9.152961
G 77.16133
H 17.40402
ReferenceChase, 1998
Comment Data last reviewed in June, 1979

Solid 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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View table.

Temperature (K) 298. - 1700.298. - 800.800. - 2125.
A 29.0166325.3924022.00069
B -12.555970.4342362.211893
C 20.749544.3845390.410633
D -5.9140001.0171230.705368
E -0.157249-0.0654492.927135
F -8.791924-3.0397603.562032
G 75.9726573.2200074.71201
H 0.0000004.8100104.810010
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment «alpha» phase; Data last reviewed in June, 1979 «beta» phase; Data last reviewed in June, 1979 «beta» phase; Data last reviewed in June, 1979

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 Zr+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)6.63390 ± 0.00004eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.427 ± 0.014LPESFeigerle, Corderman, et al., 1981B

Ionization energy determinations

IE (eV) Method Reference Comment
6.63390EVALLide, 1992LL
6.63390 ± 0.00004LSHackett, Humphries, et al., 1986LBLHLM
6.48 ± 0.07EIRauh and Ackermann, 1979LLK
5.8 ± 0.2EIMurad and Hildenbrand, 1975LLK
6.4 ± 0.1EIRauh and Ackermann, 1974LLK
6.84SMoore, 1970RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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]

Feigerle, Corderman, et al., 1981
Feigerle, C.S.; Corderman, R.R.; Bobashev, S.V.; Lineberger, W.C., Binding Energies and Structure of Transition Metal Negative Ions, J. Chem. Phys., 1981, 74, 3, 1580, https://doi.org/10.1063/1.441289 . [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Hackett, Humphries, et al., 1986
Hackett, P.A.; Humphries, M.R.; Mitchell, S.A.; Rayner, D.M., The first ionization potential of zirconium atoms determined by two laser, field-ionization spectroscopy of high lying Rydberg series, J. Chem. Phys., 1986, 85, 3194. [all data]

Rauh and Ackermann, 1979
Rauh, E.G.; Ackermann, R.J., The first ionization potentials of the transition metals, J. Chem. Phys., 1979, 70, 1004. [all data]

Murad and Hildenbrand, 1975
Murad, E.; Hildenbrand, D.L., Thermochemical properties of gaseous ZrO and ZrO2, J. Chem. Phys., 1975, 63, 1133. [all data]

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]


Notes

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