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vanadium oxide


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, References, Notes

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
Deltafgas127.61kJ/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
gas,1 bar230.90J/mol*KReviewChase, 1998Data last reviewed in December, 1973

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) 3500. - 6000.
A 44.16923
B -6.802305
C 2.368241
D -0.191252
E -3.325443
F 106.9112
G 275.8377
H 127.6120
ReferenceChase, 1998
Comment Data last reviewed in December, 1973

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, References, Notes

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-370.90kJ/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
liquid,1 bar69.17J/mol*KReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
Deltafsolid-431.79kJ/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
solid39.10J/mol*KReviewChase, 1998Data last reviewed in December, 1973

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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View table.

Temperature (K) 2063. - 3500.
A 62.76000
B 4.499809×10-8
C -1.533232×10-8
D 1.784698×10-9
E 1.832070×10-8
F -395.7675
G 132.9328
H -370.9016
ReferenceChase, 1998
Comment Data last reviewed in December, 1973

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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View table.

Temperature (K) 298. - 2063.
A 45.97044
B 14.46601
C 0.619521
D -0.177508
E -0.420735
F -447.5290
G 88.02508
H -431.7888
ReferenceChase, 1998
Comment Data last reviewed in December, 1973

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Constants of diatomic molecules, NIST Free Links, References, Notes

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:
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
B - John E. Bartmess

View reactions leading to OV+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.2290 ± 0.0080LPESWu and Wang, 1998B

Ionization energy determinations

IE (eV) Method Reference Comment
7.2386 ± 0.0006TEHarrington and Weisshaar, 1992LL
7.5DERLias, Bartmess, et al., 1988LL
8.4EIBalducci, Gigli, et al., 1983LBLHLM
8. ± 1.EIFarber, Uy, et al., 1972LLK

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through June, 1975

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 51V16O
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 23980 [833]         D larrow X 1 23890
Weltner, 1979
C 4Sigma- 17494.3 (863.4) 2 (Z) 5.35  0.4953 3 4 0.0035  6E-7  1.6721 C 5 lrarrow X 6 7 R 17420.2 Z
Mahanti, 1935; missing citation; missing citation; Laud and Kalsulkar, 1968; Richards and Barrow, 1968; Richards, 1969; missing citation
B 4Pi(r) 12760.8 910.9 5.0  0.5246 0.004    1.625 B lrarrow X 7 R 12710.6 HQ
Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation
12689 8          B lrarrow X 7 R 12638.6 HQ
Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation
12625          B lrarrow X 7 R 12574.7 HQ
Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation
12567          B lrarrow X 7 R 12516.7 HQ
Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation
R shaded bands in the region 9470 - 9560 cm-1. 9
Lagerqvist and Selin, 1956
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 4Sigma- 0 10 (1011.3) 2 (Z) 4.86  0.54825 11 0.00352  6E-7  1.58932 12  
Kasai, 1968

Notes

1Low temperature matrix absorption; not observed in the gas phase.
2From Harrington, Seel, et al., 1970. Slightly different constants in Richards, 1969.
3Spin splitting constants Hougen, 1962 Richards, 1969 : lambda(v=0)= +0.53 , gamma1(v=0) = -0.009 , gamma2(v=0) = -0.007 .
4Perturbations.
5Radiative lifetime tau(v=0,1) = 0.41 mus Diebold and Wentink, 1970.
6Absolute transition moments, band oscillator strengths Harrington, Seel, et al., 1970. This reference contains a useful review and bibliography of earlier work.
7The existence of a new system between 13900 and 14500 cm-1, tentatively identified by Grosjean and Rosen [see Gatterer, Junkes, et al., 1957], is doubtful since the 2-0 and 0-3 sequences of B-X and C-X, respectively, are expected to overlap in this region.
8[For a more rigorous treatment of the fine structure see Veseth, 1975.]
9It is not certain whether these bands form a new system or are part of B-X.
10The ESR spectrum of matrix isolated VO Kasai, 1968 is compatible only with a 4Sigma- ground state, confirming theoretical predictions by Carlson and Moser, 1966.
11Spin splitting constants Hougen, 1962 Richards, 1969: lambda(v=0)= +1.371 , gamma1(v=0) = +0.0112 , gamma2(v=0) = +0.0111 . Large nuclear magnetic hfs, b = 0.080 cm-1 Kasai, 1968, Richards and Barrow, 1968, 2. An unusual perturbation occurs in v=0,1 between F2 and F3 levels with DeltaN = DeltaF = 0 Richards and Barrow, 1968, 2.
12ESR sp. 15
13Thermochemical value (mass-spectrometry) Berkowitz and Inghram, 1957, Coppens, Smoes, et al., 1967, Frantseva and Semenov, 1969, Farber, Uy, et al., 1972.
14Subband origin at 12706.8 cm-1.
15In argon matrix.

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]

Wu and Wang, 1998
Wu, H.; Wang, L.-S., A Photoelectron Spectroscopic Study of Monovanadium Oxide Anions (VOx-, x=1-4), J. Phys. Chem., 1998, 108, 13, 5310, https://doi.org/10.1063/1.475966 . [all data]

Harrington and Weisshaar, 1992
Harrington, J.; Weisshaar, J.C., State-to-state photoionization of VO: Propensity for large positive changes in rotational quantum number, J. Chem. Phys., 1992, 97, 2809. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Balducci, Gigli, et al., 1983
Balducci, G.; Gigli, G.; Guido, M., Thermodynamic study of gaseous ternary oxide molecules. The europium-vanadium-oxygen system, J. Chem. Phys., 1983, 79, 5623. [all data]

Farber, Uy, et al., 1972
Farber, M.; Uy, O.M.; Srivastava, R.D., Effusion-mass spectrometric determination of the heats of formation of the gaseous molecules V4O10, V4O8, VO2, and VO, J. Chem. Phys., 1972, 56, 5312. [all data]

Weltner, 1979
Weltner, Unpublished quoted by Barrow in missing citation, 1979, 1. [all data]

Mahanti, 1935
Mahanti, P.C., The band spectrum of vanadium oxide, Proc. Phys. Soc. London, 1935, 47, 433. [all data]

Laud and Kalsulkar, 1968
Laud, B.B.; Kalsulkar, D.R., The emission spectrum of VO molecule, Indian J. Phys., 1968, 42, 61. [all data]

Richards and Barrow, 1968
Richards, D.; Barrow, R.F., Nuclear hyperfine interactions in diatomic molecules and the ground state of VO, Nature (London), 1968, 217, 842. [all data]

Richards, 1969
Richards, D. Phil. Thesis, see Rosen, 1970, Oxford, 1969, 0. [all data]

Keenan and Schroeder, 1952
Keenan, P.C.; Schroeder, L.W., An infrared system of bands of VO in M-type stars, Astrophys. J., 1952, 115, 82. [all data]

Lagerqvist and Selin, 1956
Lagerqvist, A.; Selin, L.-E., Some infrared bands of vanadium oxide, Ark. Fys., 1956, 11, 429. [all data]

Kasai, 1968
Kasai, P.H., ESR of VO in argon matrix at 4°K; establishment of its electronic ground state, J. Chem. Phys., 1968, 49, 4979. [all data]

Harrington, Seel, et al., 1970
Harrington, J.A.; Seel, R.M.; Hebert, G.R.; Nicholls, R.W., Identification atlas of molecular spectra. 7. The VO C4«SIGMA»- - X4«SIGMA»- yellow-green and B4«PI» - X4«SIGMA»- red systems, York University, Centre for Research in Experimental Space Science, Toronto, Ontario, 1970, 0. [all data]

Hougen, 1962
Hougen, J.T., The rotational energy levels of diatomic molecules in 4«SIGMA» electronic states, Can. J. Phys., 1962, 40, 598. [all data]

Diebold and Wentink, 1970
Diebold; Wentink, Unpublished quoted in Harrington, Seel, et al., 1970 cited in Huber and Herzberg, 1979, 1970, 659. [all data]

Gatterer, Junkes, et al., 1957
Gatterer, A.; Junkes, J.; Salpeter, E.W., Molecular spectra of metallic oxides, Specola Vaticana, Citta del Vaticano, 1957, 0. [all data]

Veseth, 1975
Veseth, L., Fine structure of 4«PI» states in diatomic molecules, Phys. Scr., 1975, 12, 125. [all data]

Carlson and Moser, 1966
Carlson, K.D.; Moser, C., Electronic ground state and wavefunction for vanadium monoxide, J. Chem. Phys., 1966, 44, 3259. [all data]

Richards and Barrow, 1968, 2
Richards, D.; Barrow, R.F., New type of perturbation caused by a magnetic hyperfine interaction, observed in the ground state of VO, Nature (London), 1968, 219, 1244. [all data]

Berkowitz and Inghram, 1957
Berkowitz, J.; Inghram, M.G., Thermodynamics of the V-O system: dissociation energies of VO and VO2, J. Chem. Phys., 1957, 27, 87. [all data]

Coppens, Smoes, et al., 1967
Coppens, P.; Smoes, S.; Drowart, J., Mass spectrometric determination of the dissociation energies of the molecules GeS, ScS, YS, LaS, and CeS, Trans. Faraday Soc., 1967, 63, 2140. [all data]

Frantseva and Semenov, 1969
Frantseva, K.E.; Semenov, G.A., Mass-spectrometer study of the evaporation of certain vanadium oxides, High Temp. Engl. Transl., 1969, 7, 52, In original 55. [all data]

Rosen, 1970
Rosen, B., International tables of selected constants. 17. Spectroscopic data relative to diatomic molecules, Pub. Pergamon Press, Oxford, 1970, 0. [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Company, New York, 1979, 716. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, NIST Free Links, References