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
Δfgas-82.801kcal/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
gas,1 bar67.851cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 2000. - 6000.
A 19.77430
B 0.054569
C -0.011037
D 0.000764
E -0.894217
F -91.24340
G 87.91511
H -82.80000
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
Δfliquid-168.20kcal/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar27.469cal/mol*KReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
Δfsolid-178.10kcal/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
solid18.59cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 1074. - 2000.
A 30.34209
B -3.054460×10-7
C 1.764480×10-7
D -3.495371×10-8
E -2.626700×10-8
F -181.4280
G 55.28511
H -168.1950
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 (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. - 1074.
A 22.30250
B -5.451991
C 12.57900
D -3.045600
E -0.338655
F -185.7470
G 44.76831
H -178.1000
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 (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
1007. - 1424.2.62602137.407-616.484Stull, 1947Coefficents calculated by NIST from author's data.

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, 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]

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]

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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