titanium oxide

• Formula: OTi
• Molecular weight: 63.866
• IUPAC Standard InChI: InChI=1S/O.Ti Copy

  
• IUPAC Standard InChIKey: OGIDPMRJRNCKJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 12137-20-1
• 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: Titanium monoxide
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Constants of diatomic molecules
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Gas phase thermochemistry data

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

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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes

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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Constants of diatomic molecules

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.

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

Data collected through November, 1977

Notes

References

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

Pathak and Palmer, 1970
Pathak, C.M.; Palmer, H.B., New electronic transitions in TiO, J. Mol. Spectrosc., 1970, 33, 137-146. [all data]

Palmer and Hsu, 1972
Palmer, H.B.; Hsu, C.J., Re-examination of electronic chemiluminescence from TiO, J. Mol. Spectrosc., 1972, 43, 320. [all data]

McIntyre, Thompson, et al., 1971
McIntyre, N.S.; Thompson, K.R.; Weltner, W., Jr., Spectroscopy of titanium oxide and titanium dioxide molecules in inert matrices at 4.deg.K, J. Phys. Chem., 1971, 75, 21, 3243, https://doi.org/10.1021/j100690a008 . [all data]

Dubois and Gole, 1977
Dubois, L.H.; Gole, J.L., Bimolecular, single collision reaction of ground and metastable excited states of titanium with O₂, NO₂, and N₂O: confirmation of D₀^o(TiO), J. Chem. Phys., 1977, 66, 779. [all data]

Linton and Singhal, 1974
Linton, C.; Singhal, S.R., Rotational constants of the singlet electronic states of the TiO molecule, J. Mol. Spectrosc., 1974, 51, 194. [all data]

Lowater, 1929
Lowater, F., The band systems of titanium oxide, Proc. Phys. Soc. London, 1929, 41, 557. [all data]

Linton and Nicholls, 1969
Linton, C.; Nicholls, R.W., Band spectra of the singlet systems of the TiO molecule, J. Phys. B:, 1969, 2, 490. [all data]

Linton and Nicholls, 1970
Linton, C.; Nicholls, R.W., Measurement of intensities of the α and β band systems of TiO, J. Quant. Spectrosc. Radiat. Transfer, 1970, 10, 311. [all data]

Dube, 1972
Dube, P.S., Einstein coefficients & oscillator strengths for the TiO β system, Indian J. Pure Appl. Phys., 1972, 10, 70. [all data]

Linton, 1974
Linton, C., Analysis of the Δv=O sequence of the β(c¹Φ - a¹Δ) system of the TiO molecule, J. Mol. Spectrosc., 1974, 50, 235. [all data]

Budo, 1936
Budo, A., Die rotationskonstanten B, D und Y der ³Π-terme von TiO, C₂, CO, PH, AlH, NH, Z. Phys., 1936, 98, 437. [all data]

Phillips, 1954
Phillips, J.G., The laboratory determination of relative transition probabilities of diatomic molecules. I. The a-system of TiO, Astrophys. J., 1954, 119, 274. [all data]

Uhler, 1954
Uhler, Dissertation, Stockholm, 1954, 1. [all data]

Prasad, 1962
Prasad, S.S., Franck-Condon factors and r-centroids for the α-system of TiO, Proc. Phys. Soc. London, 1962, 79, 1078. [all data]

Ortenberg and Glasko, 1963
Ortenberg, F.S.; Glasko, V.B., Vibrational transition probabilities for band systems of some diatomic oxides, Sov. Astron. Engl. Transl., 1963, 6, 714, In original 601. [all data]

Phillips, 1969
Phillips, J.G., The γ'-system of the TiO molecule, Astrophys. J., 1969, 157, 449. [all data]

Phillips and Davis, 1972
Phillips, J.G.; Davis, S.P., Perturbations in the α-system of the TiO molecule, Astrophys. J., 1972, 175, 583. [all data]

Phillips, 1973
Phillips, J.G., Molecular constants of the TiO molecule, Astrophys. J. Suppl. Ser., 1973, 26, 313. [all data]

Collins and Fay, 1974
Collins, J.G.; Fay, T.D., Jr., Radiative opacities for the α, γ, and φ systems of titanium monoxide, J. Quant. Spectrosc. Radiat. Transfer, 1974, 14, 1259. [all data]

Linton and Broida, 1977
Linton, C.; Broida, H.P., Flame spectroscopy of TiO. Chemiluminescence, J. Mol. Spectrosc., 1977, 64, 382. [all data]

Coheur, 1943
Coheur, F.P., Contribution a l'etude du spectre de bandes de la molecule TiO, Bull. Soc. R. Sci. Liege, 1943, 12, 98. [all data]

Pedoussaut, 1961
Pedoussaut, A., Classification des bandes de Coheur-Duner, Compt. Rend., 1961, 252, 2819. [all data]

Merrill, Deutsch, et al., 1962
Merrill, P.W.; Deutsch, A.J.; Keenan, P.C., Absorption spectra of M-type Mira variables, Astrophys. J., 1962, 136, 21. [all data]

Weltner and McLeod, 1965
Weltner, W., Jr.; McLeod, D., Jr., Spectroscopy of titanium, zirconium, and hafnium oxides in neon and argon matrices at 4 and 20°K, J. Phys. Chem., 1965, 69, 3488. [all data]

Collins, 1975
Collins, J.G., A band-head analysis of the γ' system of TiO, J. Phys. B:, 1975, 8, 304. [all data]

Pettersson, 1959
Pettersson, A.V., The TiO-band 11032 A, Ark. Fys., 1959, 16, 185. [all data]

Pettersson and Lindgren, 1962
Pettersson, A.V.; Lindgren, B., The b¹Π-d¹Σ transition of TiO, Ark. Fys., 1962, 22, 491. [all data]

Lockwood, 1969
Lockwood, G.W., Identification, structure, and variations of new TiO bands in the one-micron spectra of mira variables, Astrophys. J., 1969, 157, 275. [all data]

Brom and Broida, 1975
Brom, J.M., Jr.; Broida, H.P., Laser photoluminescence of TiO in Ne at 4°K, J. Chem. Phys., 1975, 63, 3718. [all data]

Christy, 1929
Christy, A., New band system of titanium oxide, Astrophys. J., 1929, 70, 1. [all data]

Fraser, Jarmain, et al., 1954
Fraser, P.A.; Jarmain, W.R.; Nicholls, R.W., Vibrational transition probabilities of diatomic molecules; collected results II, N₂⁺, CN, C₂, O₂, TiO, Astrophys. J., 1954, 119, 286. [all data]

Feinberg, Bilal, et al., 1976
Feinberg, J.; Bilal, M.G.; Davis, S.P.; Phillips, J.G., Lifetime of the c¹Φ state of TiO, Astrophys. Lett., 1976, 12, 147. [all data]

Zyrnicki, 1975
Zyrnicki, W., Transition probabilities for the (0,O) and (1,1) bands of the c¹Φ-a¹Δ system of the TiO molecule, J. Quant. Spectrosc. Radiat. Transfer, 1975, 15, 575. [all data]

Kovacs, 1965
Kovacs, I., On the triplet terms of the TiO molecule, J. Mol. Spectrosc., 1965, 18, 229. [all data]

Toros, 1966
Toros, R., On the anomalous multiplet splitting of the triplet terms of the TiO molecule, Acta Phys. Hung., 1966, 20, 91. [all data]

Kovacs and Korwar, 1970
Kovacs, I.; Korwar, V.M., Re-investigation of the coupling constants of the revised molecular state of TiO, Acta Phys. Acad. Sci. Hung., 1970, 29, 399. [all data]

Price, Sulzmann, et al., 1971
Price, M.L.; Sulzmann, K.G.P.; Penner, S.S., Measurments of f-numbers for α- and γ-bands of TiO, J. Quant. Spectrosc. Radiat. Transfer, 1971, 11, 427. [all data]

Fairbairn, Wolnik, et al., 1974
Fairbairn, A.R.; Wolnik, S.J.; Berthel, R.O., Oscillator strengths in the TiO alpha-band system, Astrophys. J., 1974, 193, 273. [all data]

Carlson and Nesbet, 1964
Carlson, K.D.; Nesbet, R.K., Wavefunctions and binding energies of the titanium monoxide molecule, J. Chem. Phys., 1964, 41, 1051. [all data]

Phillips, 1952
Phillips, J.G., Note on the identification of the ground state of the TiO molecule, Astrophys. J., 1952, 115, 567. [all data]

Phillips, 1971
Phillips, J.G., Satellite bands of the γ'-system of titanium oxide, Astrophys. J., 1971, 169, 185. [all data]

Phillips, 1974
Phillips, J.G., The fundamental rotation-vibration band of TiO, Astrophys. J. Suppl. Ser., 1974, 27, 319. [all data]

Drowart, Coppens, et al., 1969
Drowart, J.; Coppens, P.; Smoes, S., Dissociation energy of the molecule TiO(g) and the thermodynamics of the system titanium-oxygen, J. Chem. Phys., 1969, 50, 1046. [all data]

Hampson and Gilles, 1971
Hampson, P.J.; Gilles, P.W., High-temperature vaporization and thermodynamics of the titanium oxides. VII. Mass spectrometry and dissociation energies of TiO(g) and TiO₂(g), J. Chem. Phys., 1971, 55, 3712. [all data]

Liu and Wahlbeck, 1975
Liu, M.B.; Wahlbeck, P.G., A Knudsen-mass-spectrometric study of the dissociation energy of TiO(g), J. Chem. Phys., 1975, 63, 1694. [all data]

Wahlbeck and Gilles, 1967
Wahlbeck, P.G.; Gilles, P.W., Dissociation energy of TiO(g) and the high-temperature vaporization and thermodynamics of the titanium oxides. II. Tritianium pentoxide, J. Chem. Phys., 1967, 46, 2465. [all data]

Gilles, Hampson, et al., 1969
Gilles, P.W.; Hampson, P.J.; Wahlbeck, P.G., Dissociation energy of TiO(g) and the high-temperature vaporization and thermodynamics of the titanium oxides. V, J. Chem. Phys., 1969, 50, 1048. [all data]

Groves, Hoch, et al., 1955
Groves, W.O.; Hoch, M.; Johnston, H.L., Vapor-solid equilibria in the titanium-oxygen system, J. Phys. Chem., 1955, 59, 127. [all data]

Berkowitz, Chupka, et al., 1957
Berkowitz, J.; Chupka, W.A.; Inghram, M.G., Thermodynamics of the Ti-Ti₂O₃ system and the dissociation energy of TiO and TiO₂, J. Phys. Chem., 1957, 61, 1569. [all data]

Sheldon and Gilles, 1977
Sheldon, R.I.; Gilles, P.W., The high temperature vaporization and thermodynamics of the titanium oxides. XI. Stoichiometric titanium monoxide, J. Chem. Phys., 1977, 66, 3705. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.