titanium oxide

Formula: OTi
Molecular weight: 63.866
IUPAC Standard InChI: InChI=1S/O.Ti
IUPAC Standard InChIKey: OGIDPMRJRNCKJF-UHFFFAOYSA-N
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
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Information on this page:
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	13.00	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1973
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	55.798	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1973

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 (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
Reference	Chase, 1998
Comment	Data last reviewed in December, 1973

Condensed phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-118.05	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1973
Quantity	Value	Units	Method	Reference	Comment
S°_{liquid,1 bar}	14.37	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1973
Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-129.70	kcal/mol	Review	Chase, 1998	α phase; Data last reviewed in December, 1973

Liquid Phase Heat Capacity (Shomate Equation)

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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
Reference	Chase, 1998
Comment	Data last reviewed in December, 1973

Solid Phase Heat Capacity (Shomate Equation)

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Temperature (K)	298. to 2023.	298. to 2023.
A	9.987591	9.983160
B	4.360761	4.370510
C	-0.089081	-0.095437
D	0.015586	0.016853
E	-0.154094	-0.153905
F	-133.3890	-132.3870
G	18.23110	19.01460
H	-129.7000	-128.7000
Reference	Chase, 1998	Chase, 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 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 ± 0.006	eV	N/A	N/A	L

Electron affinity determinations

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
6.819 ± 0.006	LS	Sappey, Eiden, et al., 1989	LL
6.7 ± 0.5	EI	Balducci, Gigli, et al., 1985	LBLHLM
6.5 ± 0.5	EI	Balducci, Gigli, et al., 1985, 2	LBLHLM
6.56 ± 0.03	PE	Dyke, Gravenor, et al., 1984	LBLHLM
6.8 ± 0.5	EI	Banon, Chatillon, et al., 1982	LBLHLM
6.5 ± 0.3	EI	Murad and Hildenbrand, 1980	LLK
6.7	EI	Hildenbrand, 1977	LLK
6.8 ± 0.5	EI	Smoes, Drowart, et al., 1976	LLK
6.7 ± 0.1	EI	Hildenbrand, 1976	LLK
6.4 ± 0.1	EI	Rauh and Ackermann, 1974	LLK
7.22 ± 0.35	EI	Wu and Wahlbeck, 1972	LLK
7.3 ± 0.5	EI	Balducci, De Maria, et al., 1972	LLK
6.8 ± 0.5	EI	Edwards, Franzen, et al., 1971	LLK
5.5 ± 0.5	EI	Mesnard, Uzan, et al., 1966	RDSH
6.82 ± 0.02	PE	Dyke, Gravenor, et al., 1984	Vertical value; LBLHLM

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
Ti⁺	12.8 ± 0.4	O	EI	Banon, Chatillon, et al., 1982	LBLHLM
Ti⁺	14.51 ± 0.36	O	EI	Wu and Wahlbeck, 1972	LLK
Ti⁺	14.5 ± 0.7	?	EI	Balducci, De Maria, et al., 1972	LLK
Ti⁺	11.5 ± 0.2	O	EI	Mesnard, Uzan, et al., 1966	RDSH

Constants of diatomic molecules

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

Data collected through November, 1977

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ⁽⁴⁸⁾Ti¹⁶O
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
										R	(30422) H
↳Pathak and Palmer, 1970; Palmer and Hsu, 1972
D	(31920)	[(1040)]									D ↔ X 1	(31940)
D	↳Pathak and Palmer, 1970; McIntyre, Thompson, et al., 1971; Palmer and Hsu, 1972; Dubois and Gole, 1977
e ¹Σ⁺	a + 26598.1	[845.2] Z	4.2 H		0.4892 2	0.0023		[4.7E-₇] 2		1.695₀	e ↔ d R	24297.5 Z
e ¹Σ⁺	↳missing citation; missing citation; Linton and Singhal, 1974
f ¹Δ	(a + 19132)	(890)			[0.50221]			[6.4E-7]		[1.6729₂]	f ↔ a 3 R	19068.93 Z
f ¹Δ	↳missing citation; Linton and Singhal, 1974
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
c ¹Φ	a + 17890.2	[909.6] Z	4.1₉ H		0.5230 4	0.0031₃		[3.9E-7] 4		1.639₃	c ↔ a 5 3 6 R	17840.6 Z
c ¹Φ	↳Lowater, 1929; missing citation; missing citation; Linton and Nicholls, 1969; Linton and Nicholls, 1970; Dube, 1972; Linton, 1974
C ³Δ_r	19617.0	838.26 Z	4.76	.047	0.48989 7 8	0.00306	-3.0E-5	6.7E-7		1.6938₃	C ↔ X 9 10 R	19334.03 Z
	↳missing citation; Budo, 1936; Phillips, 1954; Uhler, 1954; missing citation; Prasad, 1962; Ortenberg and Glasko, 1963; Phillips, 1969; Linton and Nicholls, 1970; Phillips and Davis, 1972; Phillips, 1973; Collins and Fay, 1974
	19525.5	838.26 Z	4.76	.047	0.48989 7 8	0.00306	-3.0E-5	6.7E-7		1.6938₃	C ↔ X 9 10 R	19343.66 Z
	↳missing citation; Budo, 1936; Phillips, 1954; Uhler, 1954; missing citation; Prasad, 1962; Ortenberg and Glasko, 1963; Phillips, 1969; Linton and Nicholls, 1970; Phillips and Davis, 1972; Phillips, 1973; Collins and Fay, 1974
	19427.12	838.26 Z	4.76	.047	0.48989 7 8	0.00306	-3.0E-5	6.7E-7		1.6938₃	C ↔ X 9 10 R	19341.68 Z
	↳missing citation; Budo, 1936; Phillips, 1954; Uhler, 1954; missing citation; Prasad, 1962; Ortenberg and Glasko, 1963; Phillips, 1969; Linton and Nicholls, 1970; Phillips and Davis, 1972; Phillips, 1973; Collins and Fay, 1974
											C → a 11
	↳Linton and Broida, 1977
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
B ³Π_r	16331.₃	875 H	5		[0.50617] 7 12			[6.86E-7]		[1.6663₆]	B ↔ X 9 R	16066.7 13 Z
	↳Coheur, 1943; missing citation; Pedoussaut, 1961; Merrill, Deutsch, et al., 1962; Weltner and McLeod, 1965; missing citation; missing citation; Phillips, 1973; Collins, 1975
	16315.₁	875 H	5		[0.50617] 7 12			[6.86E-7]		[1.6663₆]	B ↔ X 9 R	16151.6 13 Z
	↳Coheur, 1943; missing citation; Pedoussaut, 1961; Merrill, Deutsch, et al., 1962; Weltner and McLeod, 1965; missing citation; missing citation; Phillips, 1973; Collins, 1975
	16293.₅	875 H	5		[0.50617] 7 12			[6.86E-7]		[1.6663₆]	B ↔ X 9 R	16226.4 Z
	↳Coheur, 1943; missing citation; Pedoussaut, 1961; Merrill, Deutsch, et al., 1962; Weltner and McLeod, 1965; missing citation; missing citation; Phillips, 1973; Collins, 1975
b ¹Π	a+11322.0₃	[911.20] Z	(3.7₂)		0.51337 14	0.0029₁		6.1E-7		1.6546₄	b ↔ d 3 R	9054.02 Z
	↳Pettersson, 1959; Pettersson and Lindgren, 1962; Linton and Nicholls, 1969; Lockwood, 1969; Linton and Nicholls, 1970; Collins and Fay, 1974; Linton and Singhal, 1974; Brom and Broida, 1975
											b ↔ a 3 R	11272.82 Z
	↳missing citation; Linton and Nicholls, 1969; Lockwood, 1969; Linton and Nicholls, 1970; Linton and Singhal, 1974; Brom and Broida, 1975
											(b → X) 15	(14710)
	↳Brom and Broida, 1975
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
A ³Φ_r	14431.0	867.78 Z	3.942		0.50739 7	0.00315	-1.0E-5	6.92E-7	2E-9	1.6643₆	A ↔ X 9 10 R	14163.00 Z
	↳Christy, 1929; Lowater, 1929; missing citation; Fraser, Jarmain, et al., 1954; Uhler, 1954; missing citation; Ortenberg and Glasko, 1963; Phillips, 1969; Phillips, 1973; Collins and Fay, 1974
	14262.8	867.78 Z	3.942		0.50739 7	0.00315	-1.0E-5	6.92E-7	2E-9	1.6643₆	A ↔ X 9 10 R	14095.88 Z
	↳Christy, 1929; Lowater, 1929; missing citation; Fraser, Jarmain, et al., 1954; Uhler, 1954; missing citation; Ortenberg and Glasko, 1963; Phillips, 1969; Phillips, 1973; Collins and Fay, 1974
	14089.91	867.78 Z	3.942		0.50739 7	0.00315	-1.0E-5	6.92E-7	2E-9	1.6643₆	A ↔ X 9 10 R	14019.43 Z
	↳Christy, 1929; Lowater, 1929; missing citation; Fraser, Jarmain, et al., 1954; Uhler, 1954; missing citation; Ortenberg and Glasko, 1963; Phillips, 1969; Phillips, 1973; Collins and Fay, 1974
E ³Π	12025	924.₂ H	5.₁								E ↔ X 16	11871 H
	↳McIntyre, Thompson, et al., 1971; Linton and Broida, 1977
												11886 H
	↳McIntyre, Thompson, et al., 1971; Linton and Broida, 1977
												11899 H
	↳McIntyre, Thompson, et al., 1971; Linton and Broida, 1977
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
d ¹Σ⁺	a + 2215.6	[1014.6] Z	(4.6₄)		0.54922	0.00337		[6.0E-7]		1.5997₂
a ¹Δ	a 17	[1009.3] H	3.9₃		0.53760	0.00298		5.9E-7		1.6169₂
X ³Δ_r	197.5 18	1009.02 Z	4.498	-1.07E-2	0.53541 7	0.00301	-1.1E-5	6.03E-7	3E-9	1.6202₂
	96.4 18
	0
	Rotation-vibr.sp. 19

Notes

Multiple heads in flames. Absorption in a neon matrix at 4 K. Analysis uncertain.

Perturbations in v=0 and 1 by levels of smaller B values Linton and Singhal, 1974. D₁ = 9.₁E-7.

Absorption in stellar atmospheres.

The data suggest a slight perturbation of v=0 by an unidentified level of smaller B value and lower energy. D₁(E-7cm^-1)= 5.8, D₂(E-7 cm^-1)= 6.9, D₃(E-7 cm-¹)= 7.5; H₀ = -2.3E-11.

Radiative lifetime τ(v=0)=17.₅ ns Feinberg, Bilal, et al., 1976. See 6.

The absolute transition probabilities of Zyrnicki, 1975 are in gross disagreement with the lifetime measurements of Feinberg, Bilal, et al., 1976.

For spin coupling constants (spin-orbit, spin-spin, spin- rotation) see Phillips, 1973, also Kovacs, 1965, Toros, 1966, Kovacs and Korwar, 1970.

Levels with v ≥ 4 are perturbed Phillips and Davis, 1972, Phillips, 1973. The perturbing (singlet? ) state has B ~ 0.510, ω ~ 900.

Absorption in stellar atmospheres. Also observed in absorption in rare gas matrices Weltner and McLeod, 1965, McIntyre, Thompson, et al., 1971.

Electronic oscillator strengths for the α system Price, Sulzmann, et al., 1971, Fairbairn, Wolnik, et al., 1974, for the γ bands Price, Sulzmann, et al., 1971.

Only three lines [R(16), Q(17), P(18)] of the ³Δ₃ → ¹Δ 2-0 band have been observed in laser-excited photoluminescence.

The Λ-type doubling in ³Π₀, Δv = 1.60 cm^-1, is nearly constant up to J ~ 65, then diminishes and changes sign for J > 120.

ν₀₀(³Π₁-³Δ₁) = 16248.0, ν₀₀(³Π₂-³Δ₂) = 16167.8.

Λ-type doubling Δν_fe= +0.00014J(J+1).

In neon at 4 K.

Absorption in a neon matrix at 4 K.

a = 3440 ± 10 cm^-1 62, based on the identification of three lines of the C → a 2-0 band (see 11). A similar value (a ~3500) follows from the assignment Brom and Broida, 1975 of the b → X intercombination transition in neon. Qualitative agreement with theoretical predictions Carlson and Nesbet, 1964. Earlier estimates Phillips, 1952, Merrill, Deutsch, et al., 1962 are considerably lower.

From the observation of two satellite bands of γ'(0-0) Phillips, 1971; see 13.

Not observed; for the predicted structure of the fundamental band see Phillips, 1974.

Thermochemical value (mass-spectrometry, Drowart, Coppens, et al., 1969, Hampson and Gilles, 1971, Liu and Wahlbeck, 1975, Hildenbrand, 1976; different values have been proposed by Wahlbeck and Gilles, 1967, Gilles, Hampson, et al., 1969, Balducci, De Maria, et al., 1972. See also Groves, Hoch, et al., 1955, Berkowitz, Chupka, et al., 1957, Wu and Wahlbeck, 1972, Sheldon and Gilles, 1977. A lower bound of 6.9₃ eV for the dissociation energy has been deduced by Dubois and Gole, 1977 from the study of chemiluminescent spectra resulting from the reactions Ti + O₂ and Ti + N₂O.

Electron impact appearance potential Rauh and Ackermann, 1974.

References

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

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, Condensed 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)
S°_{liquid,1 bar}	Entropy of liquid at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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