Molybdenum hexafluoride

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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-372.290kcal/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
gas,1 bar83.764cal/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) 1000. - 6000.
A 36.01319
B 1.471430
C -0.396214
D 0.033679
E -0.705207
F -385.4541
G 122.9570
H -372.2899
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-378.982kcal/molReviewChase, 1998Data last reviewed in September, 1978
Quantity Value Units Method Reference Comment
liquid,1 bar62.067cal/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) 298. - 1000.
A 28.18700
B 41.57321
C 0.002302
D -0.000973
E -0.000017
F -389.2330
G 83.78360
H -378.9811
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.

Data compiled by: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
6.55340.Nisel'son, Nikolaev, et al., 1968Based on data from 318. - 363. K.

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
14.5 ± 0.1PEVovna, Dudin, et al., 1979

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F5Mo+15.2 ± 0.2FEIHildenbrand, 1976 

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin GOODYEAR ATOMIC CORPORATION, PORTSMOUTH, OHIO
NIST MS number 34214

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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: Takehiko Shimanouchi

Symmetry:   Oh     Symmetry Number σ = 24


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1g 1 Sym str 742  B  ia 741.5 VS p gas
eg 2 Deg str 652  B  ia 651.6 W dp gas
f1u 3 Deg str 741  C 741 VS gas  ia
f1u 4 Deg deform 264  C 264 S gas  ia
f2g 5 Deg deform 318  C  ia 318 W dp gas
f2u 6 Deg deform 116  E  ia  ia OC(2ν6)

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
WWeak
iaInactive
pPolarized
dpDepolarized
OCFrequency estimated from an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

Nisel'son, Nikolaev, et al., 1968
Nisel'son, L.A.; Nikolaev, R.K.; Sokolova, T.D.; Stolyarov, V.I.; Korolev, Yu.M., Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, 1968, 109. [all data]

Vovna, Dudin, et al., 1979
Vovna, V.I.; Dudin, A.S.; Avkhutskii, L.M.; Lopatin, S.N.; Ippolitov, E.G., Photoelectron spectra and electronic spectra of volatile rhenium fluorides [and oxide fluorides], Russ. J. Inorg. Chem., 1979, 24, 1135. [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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

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