vanadium oxide
- Formula: OV
- Molecular weight: 66.9409
- IUPAC Standard InChI: InChI=1S/O.V
- IUPAC Standard InChIKey: IBYSTTGVDIFUAY-UHFFFAOYSA-N
- CAS Registry Number: 12035-98-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Vanadium monoxide
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 30.500 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 55.186 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 3500. to 6000. |
|---|---|
| A | 10.55670 |
| B | -1.625790 |
| C | 0.566023 |
| D | -0.045710 |
| E | -0.794800 |
| F | 25.55239 |
| G | 65.92679 |
| H | 30.50000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 |
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -88.647 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 16.53 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -103.20 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 9.345 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 2063. to 3500. |
|---|---|
| A | 15.00000 |
| B | 1.075480×10-8 |
| C | -3.664511×10-9 |
| D | 4.265531×10-10 |
| E | 4.378750×10-9 |
| F | -94.59070 |
| G | 31.77170 |
| H | -88.64761 |
| Reference | Chase, 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 (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 2063. |
|---|---|
| A | 10.98720 |
| B | 3.457460 |
| C | 0.148069 |
| D | -0.042426 |
| E | -0.100558 |
| F | -106.9620 |
| G | 21.03850 |
| H | -103.2000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 |
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:
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 ± 0.0080 | LPES | Wu and Wang, 1998 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.2386 ± 0.0006 | TE | Harrington and Weisshaar, 1992 | LL |
| 7.5 | DER | Lias, Bartmess, et al., 1988 | LL |
| 8.4 | EI | Balducci, Gigli, et al., 1983 | LBLHLM |
| 8. ± 1. | EI | Farber, Uy, et al., 1972 | LLK |
Constants of diatomic molecules
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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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through June, 1975
| Symbol | Meaning |
|---|---|
| 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) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| D | 23980 | [833] | D ← X 1 | 23890 | ||||||||
| ↳Weltner, 1979 | ||||||||||||
| C 4Σ- | 17494.3 | (863.4) 2 (Z) | 5.35 | 0.4953 3 4 | 0.0035 | 6E-7 | 1.6721 | C 5 ↔ 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 4Π(r) | 12760.8 | 910.9 | 5.0 | 0.5246 | 0.004 | 1.625 | B ↔ X 7 R | 12710.6 HQ | ||||
| ↳Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation | ||||||||||||
| 12689 8 | B ↔ X 7 R | 12638.6 HQ | ||||||||||
| ↳Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation | ||||||||||||
| 12625 | B ↔ X 7 R | 12574.7 HQ | ||||||||||
| ↳Keenan and Schroeder, 1952; missing citation; Richards and Barrow, 1968; Richards, 1969; missing citation | ||||||||||||
| 12567 | B ↔ 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 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| X 4Σ- | 0 10 | (1011.3) 2 (Z) | 4.86 | 0.54825 11 | 0.00352 | 6E-7 | 1.58932 12 | |||||
| ↳Kasai, 1968 | ||||||||||||
Notes
| 1 | Low temperature matrix absorption; not observed in the gas phase. |
| 2 | From Harrington, Seel, et al., 1970. Slightly different constants in Richards, 1969. |
| 3 | Spin splitting constants Hougen, 1962 Richards, 1969 : λ(v=0)= +0.53 , γ1(v=0) = -0.009 , γ2(v=0) = -0.007 . |
| 4 | Perturbations. |
| 5 | Radiative lifetime τ(v=0,1) = 0.41 μs Diebold and Wentink, 1970. |
| 6 | Absolute transition moments, band oscillator strengths Harrington, Seel, et al., 1970. This reference contains a useful review and bibliography of earlier work. |
| 7 | The 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.] |
| 9 | It is not certain whether these bands form a new system or are part of B-X. |
| 10 | The ESR spectrum of matrix isolated VO Kasai, 1968 is compatible only with a 4Σ- ground state, confirming theoretical predictions by Carlson and Moser, 1966. |
| 11 | Spin splitting constants Hougen, 1962 Richards, 1969: λ(v=0)= +1.371 , γ1(v=0) = +0.0112 , γ2(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 ΔN = ΔF = 0 Richards and Barrow, 1968, 2. |
| 12 | ESR sp. 15 |
| 13 | Thermochemical value (mass-spectrometry) Berkowitz and Inghram, 1957, Coppens, Smoes, et al., 1967, Frantseva and Semenov, 1969, Farber, Uy, et al., 1972. |
| 14 | Subband origin at 12706.8 cm-1. |
| 15 | In 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 C4Σ- - X4Σ- yellow-green and B4Π - X4Σ- 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 4Σ 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 4Π 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
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- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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