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zirconium dioxide


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
Deltafgas-286.19kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
gas,1 bar273.74J/mol*KReviewChase, 1998Data 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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 5000. - 6000.
A 57.96639
B 0.136432
C -0.028428
D 0.002010
E -1.840839
F -308.8035
G 335.7216
H -286.1864
ReferenceChase, 1998
Comment Data last reviewed in December, 1965

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
Deltafliquid-1023.16kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
liquid,1 bar74.65J/mol*KReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
Deltafsolid-1097.46kJ/molReviewChase, 1998Data last reviewed in December, 1965
Quantity Value Units Method Reference Comment
solid50.34J/mol*KReviewChase, 1998Data last reviewed in December, 1965

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) 2950. - 5000.
A 87.86370
B 0.000141
C -0.000027
D 0.000002
E 0.000393
F -1067.800
G 153.0410
H -1023.160
ReferenceChase, 1998
Comment Data last reviewed in December, 1965

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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Temperature (K) 298. - 1478.1478. - 2950.
A 69.2000174.47520
B 8.5482900.000000
C -0.8629210.000000
D 0.2463740.000000
E -1.3827670.000000
F -1123.115-1115.333
G 123.7954138.0247
H -1097.463-1097.463
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1965 Data last reviewed in December, 1965

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 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

Ionization energy determinations

IE (eV) Method Reference Comment
9.4 ± 0.2EIMurad and Hildenbrand, 1975LLK
9.6 ± 0.1EIRauh and Ackermann, 1974LLK
8. ± 0.5EIChupka, Berkowitz, et al., 1957RDSH

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 17041 gas A-X 480 587 Le, Steimle, et al., 2011


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 832 gas LF Le, Steimle, et al., 2011
2 Bend 153 gas LF Le, Steimle, et al., 2011
b2 3 Asym. stretch 521 gas LF Le, Steimle, et al., 2011

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 898 gas LF Le, Steimle, et al., 2011
1 Sym. stretch 884.3 Ar IR Chertihin and Andrews, 1995
2 Bend 287 ± 2 gas LF Le, Steimle, et al., 2011
b2 3 Asym. stretch 808 ± 3 gas LF Le, Steimle, et al., 2011
3 Asym. stretch 818.0 Ar IR Chertihin and Andrews, 1995

Additional references: Jacox, 1998, page 176; Jacox, 2003, page 103; Brugh, Suenram, et al., 1999

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

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]

Chupka, Berkowitz, et al., 1957
Chupka, W.A.; Berkowitz, J.; Inghram, M.G., Thermodynamics of the Zr-ZrO, system: the dissociation energies of ZrO and ZrO2, J. Chem. Phys., 1957, 26, 1207. [all data]

Le, Steimle, et al., 2011
Le, A.; Steimle, T.C.; Gupta, V.; Rice, C.A.; Maier, J.P.; Lin, S.H.; Lin, C.-K., The visible spectrum of zirconium dioxide, ZrO2, J. Chem. Phys., 2011, 135, 10, 104303, https://doi.org/10.1063/1.3632053 . [all data]

Chertihin and Andrews, 1995
Chertihin, G.V.; Andrews, L., Reactions of Laser Ablated Titanium, Zirconium, and Hafnium Atoms with Oxygen Molecules in Condensing Argon, J. Phys. Chem., 1995, 99, 17, 6356, https://doi.org/10.1021/j100017a015 . [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Brugh, Suenram, et al., 1999
Brugh, D.J.; Suenram, R.D.; Stevens, W.J., Fourier transform microwave spectroscopy of jet-cooled ZrO[sub 2] produced by laser vaporization, J. Chem. Phys., 1999, 111, 8, 3526, https://doi.org/10.1063/1.479674 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References