titanium oxide


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
Δfgas13.00kcal/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
gas,1 bar55.798cal/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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 4500. to 6000.
A 8.665727
B -0.646401
C 0.404266
D -0.036270
E 2.343619
F 12.38905
G 67.26530
H 13.00000
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, 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
Δfliquid-118.05kcal/molReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
liquid,1 bar14.37cal/mol*KReviewChase, 1998Data last reviewed in December, 1973
Quantity Value Units Method Reference Comment
Δfsolid-129.70kcal/molReviewChase, 1998α phase; 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) 2023. to 4500.
A 15.99998
B 0.000009
C -0.000002
D 1.655581×10-7
E 0.000012
F -125.7326
G 28.42973
H -118.0543
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 (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 2023.298. to 2023.
A 9.9875919.983160
B 4.3607614.370510
C -0.089081-0.095437
D 0.0155860.016853
E -0.154094-0.153905
F -133.3890-132.3870
G 18.2311019.01460
H -129.7000-128.7000
ReferenceChase, 1998Chase, 1998
Comment α phase; Data last reviewed in December, 1973 β phase; 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 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 OTi+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)6.819 ± 0.006eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
1.200 ± 0.010N/APeppernick, Gunaratne, et al., 2010B
1.300 ± 0.030LPESWu and Wang, 1997B

Ionization energy determinations

IE (eV) Method Reference Comment
6.819 ± 0.006LSSappey, Eiden, et al., 1989LL
6.7 ± 0.5EIBalducci, Gigli, et al., 1985LBLHLM
6.5 ± 0.5EIBalducci, Gigli, et al., 1985, 2LBLHLM
6.56 ± 0.03PEDyke, Gravenor, et al., 1984LBLHLM
6.8 ± 0.5EIBanon, Chatillon, et al., 1982LBLHLM
6.5 ± 0.3EIMurad and Hildenbrand, 1980LLK
6.7EIHildenbrand, 1977LLK
6.8 ± 0.5EISmoes, Drowart, et al., 1976LLK
6.7 ± 0.1EIHildenbrand, 1976LLK
6.4 ± 0.1EIRauh and Ackermann, 1974LLK
7.22 ± 0.35EIWu and Wahlbeck, 1972LLK
7.3 ± 0.5EIBalducci, De Maria, et al., 1972LLK
6.8 ± 0.5EIEdwards, Franzen, et al., 1971LLK
5.5 ± 0.5EIMesnard, Uzan, et al., 1966RDSH
6.82 ± 0.02PEDyke, Gravenor, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Ti+12.8 ± 0.4OEIBanon, Chatillon, et al., 1982LBLHLM
Ti+14.51 ± 0.36OEIWu and Wahlbeck, 1972LLK
Ti+14.5 ± 0.7?EIBalducci, De Maria, et al., 1972LLK
Ti+11.5 ± 0.2OEIMesnard, Uzan, et al., 1966RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, 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]

Peppernick, Gunaratne, et al., 2010
Peppernick, S.J.; Gunaratne, K.D.D.; Castlman, A.W., Jr., Superatom Spectroscopy and the Electronic State Correlation Between Elements and Isoelectronic Molecular Counterparts, Proc. Natl. Acad Sci., 2010, 107, 3, 975, https://doi.org/10.1073/pnas.0911240107 . [all data]

Wu and Wang, 1997
Wu, H.; Wang, L.-S., Electronic Structures of Titanium Oxide Clusters: TiOy (y=1-3) and (TiO2)n (n=1-4), J. Phys. Chem., 1997, 107, 20, 8221, https://doi.org/10.1063/1.475026 . [all data]

Sappey, Eiden, et al., 1989
Sappey, A.D.; Eiden, G.; Harrington, J.E.; Weisshaar, J.C., Vibronic structure of TiO+ from multiphoton ionization photoelectron spectroscopy, J. Chem. Phys., 1989, 90, 1415. [all data]

Balducci, Gigli, et al., 1985
Balducci, G.; Gigli, G.; Guido, M., Identification and stability determinations for the gaseous titanium oxide molecules Ti2O3 and Ti2O4, J. Chem. Phys., 1985, 83, 1913. [all data]

Balducci, Gigli, et al., 1985, 2
Balducci, G.; Gigli, G.; Guido, M., Mass spectrometric study of the thermochemistry of gaseous EuTiO3 and TiO2, J. Chem. Phys., 1985, 83, 1909. [all data]

Dyke, Gravenor, et al., 1984
Dyke, J.M.; Gravenor, B.W.J.; Josland, G.D.; Lewis, R.A.; Morris, A., A gas phase investigation of titanium monoxide and atomic titanium using high temperature photoelectron spectroscopy, Mol. Phys., 1984, 53, 465. [all data]

Banon, Chatillon, et al., 1982
Banon, S.; Chatillon, C.; Allibert, M., High temperature mass spectrometric study of ionization and fragmentation of TiO and TiO2 gas under electron impact, High Temp. Sci., 1982, 15, 17. [all data]

Murad and Hildenbrand, 1980
Murad, E.; Hildenbrand, D.L., Dissociation energies of GdO, HoO, ErO, TmO, and LuO. Correlation of results for the lanthanide monoxide series, J. Chem. Phys., 1980, 73, 4005. [all data]

Hildenbrand, 1977
Hildenbrand, D.L., Dissociation energy of samarium monoxide and its relation to that of europium monoxide, Chem. Phys. Lett., 1977, 48, 340. [all data]

Smoes, Drowart, et al., 1976
Smoes, S.; Drowart, J.; Myers, C.E., Determination of the atomization energies of the molecules TaO(g) TaO2(g) by the mass-spectrometric Knudsen-cell method, J. Chem. Thermodyn., 1976, 8, 225. [all data]

Hildenbrand, 1976
Hildenbrand, D.L., Mass spectrometric studies of the thermochemistry of gaseous TiO and TiO2, Chem. Phys. Lett., 1976, 44, 281. [all data]

Rauh and Ackermann, 1974
Rauh, E.G.; Ackermann, R.J., First ionization potentials of some refractory oxide vapors, J. Chem. Phys., 1974, 60, 1396. [all data]

Wu and Wahlbeck, 1972
Wu, H.Y.; Wahlbeck, P.G., Vapor pressures of TiO(g) in equilibrium with Ti2O3(s) Ti3O5(s, β); dissociation energy of TiO(g), J. Chem. Phys., 1972, 56, 4534. [all data]

Balducci, De Maria, et al., 1972
Balducci, G.; De Maria, G.; Guido, M.; Piacente, V., Dissociation energy of TiO and TiO2 gaseous molecules, J. Chem. Phys., 1972, 56, 3422. [all data]

Edwards, Franzen, et al., 1971
Edwards, J.G.; Franzen, H.F.; Gilles, P.W., High-temperature mass spectrometry, vaporization, and thermodynamics of titanium monosulfide, J. Chem. Phys., 1971, 54, 545. [all data]

Mesnard, Uzan, et al., 1966
Mesnard, G.; Uzan, R.; Cabaud, B., Etude au spectrometre de masse des produits d'evaporation du bioxyde de titane et du titanate de baryum, Rev. Phys. Appl., 1966, 1, 123. [all data]


Notes

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