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molybdenum trioxide

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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
Deltafgas-346.44kJ/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
gas,1 bar283.89J/mol*KReviewChase, 1998Data last reviewed in September, 1978

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) 2000. - 6000.
A 82.73567
B 0.228318
C -0.046180
D 0.003197
E -3.741405
F -381.7624
G 367.8368
H -346.4352
ReferenceChase, 1998
Comment Data last reviewed in September, 1978

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-703.73kJ/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar114.93J/mol*KReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
Deltafsolid-745.17kJ/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
solid77.78J/mol*KReviewChase, 1998Data last reviewed in September, 1978

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) 1074. - 2000.
A 126.9513
B -0.000001
C 7.382584×10-7
D -1.462463×10-7
E -1.099012×10-7
F -759.0948
G 231.3129
H -703.7279
ReferenceChase, 1998
Comment Data last reviewed in September, 1978

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. - 1074.
A 93.31366
B -22.81113
C 52.63054
D -12.74279
E -1.416934
F -777.1654
G 187.3106
H -745.1704
ReferenceChase, 1998
Comment Data last reviewed in September, 1978

Phase change 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.

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
1007. - 1424.2.63172137.407-616.484Stull, 1947Coefficents calculated by NIST from author's data.

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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
3.170 ± 0.020LPESYoder, Maze, et al., 2005B
2.85 ± 0.21R-ARudnyi, Vovk, et al., 1989Multi-parameter fit to many IMRE, Ion-ion Eq. «DELTA»Hf(A-) at 0 K; value altered from reference due to conversion from electron convention to ion convention; B
3.10 ± 0.45R-AMiller, 1979H + HMoO4- <=> H2O + MoO3-; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.8 ± 0.5EIYamdagni, Pupp, et al., 1970RDSH
12.2 ± 0.5EIPupp, Yamdagni, et al., 1969RDSH
11.8EIDrowart, Exsteen, et al., 1964RDSH
12.0 ± 0.6EIDeMaria, Burns, et al., 1960RDSH

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:   X


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

a1 1 MoO stretch 976 T Ne IR Hewett, Newton, et al., 1975
e 3 MoO stretch 923.4 Ne IR Hewett, Newton, et al., 1975
Zhou and Andrews, 1999
3 MoO stretch 915.8 Ar IR Bare, Souter, et al., 1998

Additional references: Jacox, 1998, page 250; Jacox, 2003, page 226

Notes

TTentative assignment or approximate value

References

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

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Yoder, Maze, et al., 2005
Yoder, B.L.; Maze, J.T.; Raghavachari, K.; Jarrold, C.C., Structures of Mo2Oy- and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations, J. Chem. Phys., 2005, 122, 9, 094313, https://doi.org/10.1063/1.1853379 . [all data]

Rudnyi, Vovk, et al., 1989
Rudnyi, E.B.; Vovk, O.M.; Kaibicheva, E.A.; Sidorov, L.N., Formation Enthalpies of Oxygen Containing Anions of Group VI Elements in the Gas Phase and the Electron Affinities of CrO3, MoO3, and WO3, J. Chem. Thermodyn., 1989, 21, 3, 247, https://doi.org/10.1016/0021-9614(89)90014-1 . [all data]

Miller, 1979
Miller, W.J., The use of flames as media for the study of in-molecule thermochemistry in characterization of high temperature vapors and gases, NBS Spec. Publ. U.S., 1979, 561, 443. [all data]

Yamdagni, Pupp, et al., 1970
Yamdagni, R.; Pupp, C.; Porter, R.F., Mass spectrometric study of the evaporation of lithium and sodium molybdates and tungstates, J. Inorg. Nucl. Chem., 1970, 32, 3509. [all data]

Pupp, Yamdagni, et al., 1969
Pupp, C.; Yamdagni, R.; Porter, R.F., Mass spectrometric study of the evaporation of BaMoO4 and BaWO4, J. Inorg. Nucl. Chem., 1969, 31, 2021. [all data]

Drowart, Exsteen, et al., 1964
Drowart, J.; Exsteen, G.; Verhaegen, G., Mass spectrometric determination of the dissociation energy of the molecules MgO, CaO, SrO and Sr2O, J. Chem. Soc. Faraday Trans., 1964, 60, 1920. [all data]

DeMaria, Burns, et al., 1960
DeMaria, G.; Burns, R.P.; Drowart, J.; Inghram, M.G., Mass spectrometric study of gaseous molybdenum, tungsten, and uranium oxides, J. Chem. Phys., 1960, 32, 1373. [all data]

Hewett, Newton, et al., 1975
Hewett, W.D., Jr.; Newton, J.H.; Weltner, W., Jr., Absorption spectra of molybdenum oxide molecules and molybdenum atoms in neon and argon matrices at 4.deg.K, J. Phys. Chem., 1975, 79, 24, 2640, https://doi.org/10.1021/j100591a014 . [all data]

Zhou and Andrews, 1999
Zhou, M.; Andrews, L., Infrared spectra and density functional calculations of the CrO[sub 2][sup -], MoO[sub 2][sup -], and WO[sub 2][sup -] molecular anions in solid neon, J. Chem. Phys., 1999, 111, 9, 4230, https://doi.org/10.1063/1.479721 . [all data]

Bare, Souter, et al., 1998
Bare, W.D.; Souter, P.F.; Andrews, L., Reactions of Laser-Ablated Molybdenum and Tungsten Atoms with Dioxygen. Resolved Infrared Spectra of Natural Molybdenum and Tungsten Isotopic Oxides in Argon Matrices, J. Phys. Chem. A, 1998, 102, 43, 8279, https://doi.org/10.1021/jp9826266 . [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]


Notes

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