molybdenum


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
Δfliquid9.935kcal/molReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar10.31cal/mol*KReviewChase, 1998Data last reviewed in March, 1978
Quantity Value Units Method Reference Comment
solid6.836cal/mol*KReviewChase, 1998Data last reviewed in March, 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) 2896. to 4951.969
A 9.000010
B -1.717990×10-8
C 3.378170×10-9
D -2.276860×10-10
E -3.735189×10-8
F 4.018990
G 16.84550
H 9.935001
ReferenceChase, 1998
Comment Data last reviewed in March, 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. to 1900.1900. to 2896.
A 5.909981294.2620
B 0.946564-230.2640
C -0.30370667.81291
D 0.275589-6.701960
E -0.040690-170.2210
F -1.938500-355.0500
G 13.48800137.1380
H 0.0000000.000000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1978 Data last reviewed in March, 1978

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: José A. Martinho Simões

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Individual Reactions

Molybdenum hexacarbonyl (cr) = 6Carbon monoxide (g) + molybdenum (cr)

By formula: C6MoO6 (cr) = 6CO (g) + Mo (cr)

Quantity Value Units Method Reference Comment
Δr77.89 ± 0.36kcal/molTD-HZCBarnes, Pilcher, et al., 1974Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.
Δr71.0 ± 1.0kcal/molTD-HFCConnor, Skinner, et al., 1972Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.

C9H9MoN3O3 (cr) = 3Carbon monoxide (g) + molybdenum (cr) + 3Acetonitrile (g)

By formula: C9H9MoN3O3 (cr) = 3CO (g) + Mo (cr) + 3C2H3N (g)

Quantity Value Units Method Reference Comment
Δr71.9 ± 2.2kcal/molHAL-HFCAdedeji, Connor, et al., 1978 

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 Mo+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)7.09243 ± 0.00004eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.74942 ± 0.00026N/ABilodeau, Scheer, et al., 1998B
0.7480 ± 0.0020LPESGunion, Dixon-Warren, et al., 1996B
0.7470 ± 0.0040LPESBengali, Casey, et al., 1992B
0.747 ± 0.010LPESFeigerle, Corderman, et al., 1981B

Ionization energy determinations

IE (eV) Method Reference Comment
7.09243EVALLide, 1992LL
7.09243 ± 0.00004LSRayner, Mitchell, et al., 1987LBLHLM
7.22 ± 0.06EIRauh and Ackermann, 1979LLK
7.0 ± 0.3EIHildenbrand, 1976LLK
7.10SHildenbrand, 1976LLK
7.099SMoore, 1970RDSH

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]

Barnes, Pilcher, et al., 1974
Barnes, D.S.; Pilcher, G.; Pittam, D.A.; Skinner, H.A.; Todd, D.; Virmani, Y., J. Less-Common Met., 1974, 36, 177. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Connor, Skinner, et al., 1972
Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls, J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754 . [all data]

Adedeji, Connor, et al., 1978
Adedeji, F.A.; Connor, J.A.; Demain, C.P.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T., J. Organometal. Chem., 1978, 149, 333. [all data]

Bilodeau, Scheer, et al., 1998
Bilodeau, R.C.; Scheer, M.; Haugen, H.K., Infrared Laser Photodetachment of Transition Metal Negative Ions: Studies on Cr-, Mo-, Cu-, and Ag-, J. Phys. B: Atom. Mol. Opt. Phys., 1998, 31, 17, 3885-3891, https://doi.org/10.1088/0953-4075/31/17/013 . [all data]

Gunion, Dixon-Warren, et al., 1996
Gunion, R.F.; Dixon-Warren, J.; Lineberger, W.C.; Morse, M.D., Ultraviolet Photoelectron Spectroscopy of Molybdenum and Molybdenum Monoxide Anions, J. Chem. Phys., 1996, 104, 5, 1765, https://doi.org/10.1063/1.470975 . [all data]

Bengali, Casey, et al., 1992
Bengali, A.A.; Casey, S.M.; Cheng, C.-L.; Dick, J.P.; Fenn, T.; Villaalta, P.W.; Leopold, D.G., Negative Ion Photoelectron Spectroscopy of Coordinatively Unsaturated Group VI Metal Carbonyls: Cr(CO)3, Mo(CO)3, and W(CO)3, J. Am. Chem. Soc., 1992, 114, 13, 5257, https://doi.org/10.1021/ja00039a043 . [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]

Rayner, Mitchell, et al., 1987
Rayner, D.M.; Mitchell, S.A.; Bourne, O.L.; Hackett, P.A., First-ionization potential of niobium and molybdenum by double-resonance, field-ionization spectroscopy, J. Opt. Soc. Am. B, 1987, 4, 900. [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]

Hildenbrand, 1976
Hildenbrand, D.L., Thermochemical studies of the gaseous lower valent fluorides of molybdenum, J. Chem. Phys., 1976, 65, 614. [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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