titanium

Formula: Ti
Molecular weight: 47.867
IUPAC Standard InChI: InChI=1S/Ti
IUPAC Standard InChIKey: RTAQQCXQSZGOHL-UHFFFAOYSA-N
CAS Registry Number: 7440-32-6
Chemical structure:
This structure is also available as a 2d Mol file
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Information on this page:
Other data available:
- Condensed phase thermochemistry data
- Ion clustering data
Data at other public NIST sites:
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	473. ± 3.	kJ/mol	Review	Cox, Wagman, et al., 1984	CODATA Review value
Δ_fH°_gas	473.63	kJ/mol	Review	Chase, 1998	Data last reviewed in June, 1979
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	180.298 ± 0.010	J/mol*K	Review	Cox, Wagman, et al., 1984	CODATA Review value
S°_{gas,1 bar}	180.30	J/mol*K	Review	Chase, 1998	Data last reviewed in June, 1979

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.

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View table.

Temperature (K)	3630.956 to 6000.
A	9.274255
B	6.092113
C	0.577095
D	-0.110364
E	6.504405
F	483.0093
G	204.1566
H	473.6288
Reference	Chase, 1998
Comment	Data last reviewed in June, 1979

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

( • 11 titanium ) + = ( • 12)

By formula: (Ti⁺ • 11Ti) + Ti = (Ti⁺ • 12Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
469.9		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 17 titanium ) + = ( • 18)

By formula: (Ti⁺ • 17Ti) + Ti = (Ti⁺ • 18Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
449.8		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 10 titanium ) + = ( • 11)

By formula: (Ti⁺ • 10Ti) + Ti = (Ti⁺ • 11Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
406.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 12 titanium ) + = ( • 13)

By formula: (Ti⁺ • 12Ti) + Ti = (Ti⁺ • 13Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
321.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 13 titanium ) + = ( • 14)

By formula: (Ti⁺ • 13Ti) + Ti = (Ti⁺ • 14Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
400.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 14 titanium ) + = ( • 15)

By formula: (Ti⁺ • 14Ti) + Ti = (Ti⁺ • 15Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
360.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 15 titanium ) + = ( • 16)

By formula: (Ti⁺ • 15Ti) + Ti = (Ti⁺ • 16Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
344.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 16 titanium ) + = ( • 17)

By formula: (Ti⁺ • 16Ti) + Ti = (Ti⁺ • 17Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
318.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 18 titanium ) + = ( • 19)

By formula: (Ti⁺ • 18Ti) + Ti = (Ti⁺ • 19Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
409.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 19 titanium ) + = ( • 20)

By formula: (Ti⁺ • 19Ti) + Ti = (Ti⁺ • 20Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
395.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 20 titanium ) + = ( • 21)

By formula: (Ti⁺ • 20Ti) + Ti = (Ti⁺ • 21Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
410.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 9 titanium ) + = ( • 10)

By formula: (Ti⁺ • 9Ti) + Ti = (Ti⁺ • 10Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
344.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 2 titanium ) + = ( • 3)

By formula: (Ti⁺ • 2Ti) + Ti = (Ti⁺ • 3Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
338.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 3 titanium ) + = ( • 4)

By formula: (Ti⁺ • 3Ti) + Ti = (Ti⁺ • 4Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
340.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 4 titanium ) + = ( • 5)

By formula: (Ti⁺ • 4Ti) + Ti = (Ti⁺ • 5Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
354.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 5 titanium ) + = ( • 6)

By formula: (Ti⁺ • 5Ti) + Ti = (Ti⁺ • 6Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
400.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 6 titanium ) + = ( • 7)

By formula: (Ti⁺ • 6Ti) + Ti = (Ti⁺ • 7Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
278.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 7 titanium ) + = ( • 8)

By formula: (Ti⁺ • 7Ti) + Ti = (Ti⁺ • 8Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
346.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • 8 titanium ) + = ( • 9)

By formula: (Ti⁺ • 8Ti) + Ti = (Ti⁺ • 9Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
335.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

( • titanium ) + = ( • 2)

By formula: (Ti⁺ • Ti) + Ti = (Ti⁺ • 2Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
230.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

+ titanium = ( • )

By formula: Ti⁺ + Ti = (Ti⁺ • Ti)

Enthalpy of reaction

Δ_rH° (kJ/mol)	T (K)	Method	Reference	Comment
244.		CID	Armentrout and Kickel, 1994	gas phase; guided ion beam CID

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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 Ti⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	6.8282	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	876.	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	853.7	kJ/mol	N/A	Hunter and Lias, 1998	HL

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.0870 ± 0.0070	EFD	Ilin, Sakharov, et al., 1987	B
0.080 ± 0.014	LPES	Feigerle, Corderman, et al., 1981	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
6.8282	EVAL	Lide, 1992	LL
6.8282	LS	Page and Gudeman, 1990	LL
6.82	S	Kelly, 1987	LBLHLM
6.820 ± 0.006	S	Sugar and Corliss, 1985	LBLHLM
6.01	PE	Dyke, Gravenor, et al., 1984	LBLHLM
6.8 ± 0.2	EI	Banon, Chatillon, et al., 1982	LBLHLM
6.78 ± 0.02	EI	Rauh and Ackermann, 1979	LLK
6.7	EI	Hildenbrand, 1977	LLK
6.8 ± 0.1	EI	Rauh and Ackermann, 1974	LLK
7.3 ± 0.6	EI	Cocke and Gingerich, 1974	LLK
7.3 ± 0.6	EI	Cocke and Gingerich, 1972	LLK
7.4 ± 0.5	EI	Balducci, De Maria, et al., 1972	LLK
6.6 ± 0.5	EI	Edwards, Franzen, et al., 1971	LLK
6.8204	S	Moore, 1970	RDSH
6.6 ± 0.2	EI	Mesnard, Uzan, et al., 1966	RDSH

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A., CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ilin, Sakharov, et al., 1987
Ilin, R.N.; Sakharov, V.I.; Serenkov, I.T., Study of Titanium Negative Ion Using Method of Electron Detachment by an Electric Field, Opt. Spectros. (USSR), 1987, 62, 578. [all data]

Feigerle, Corderman, et al., 1981
Feigerle, C.S.; Corderman, R.R.; Bobashev, S.V.; Lineberger, W.C., Binding Energies and Structure of Transition Metal Negative Ions, J. Chem. Phys., 1981, 74, 3, 1580, https://doi.org/10.1063/1.441289 . [all data]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Page and Gudeman, 1990
Page, R.H.; Gudeman, C.S., Completing the iron period: Double-resonance, fluorescence-dip rydberg spectroscopy and ionization potentials of titanium, vanadium, iron, cobalt, and nickel, J. Opt. Soc. Am. B, 1990, 1761. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [all data]

Sugar and Corliss, 1985
Sugar, J.; Corliss, C., Atomic energy levels of the iron period elements: Potassium through nickel, J. Phys. Chem. Ref. Data, 1985, 14. [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]

Rauh and Ackermann, 1979
Rauh, E.G.; Ackermann, R.J., The first ionization potentials of the transition metals, J. Chem. Phys., 1979, 70, 1004. [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]

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]

Cocke and Gingerich, 1974
Cocke, D.L.; Gingerich, K.A., Thermodynamic investigation of the gaseous molecules TiRh, Rh₂, and Ti₂Rh by mass spectrometry, J. Chem. Phys., 1974, 60, 1958. [all data]

Cocke and Gingerich, 1972
Cocke, D.L.; Gingerich, K.A., Determination of the heats of atomization of the molecules RhC₂, RhC, and TiC₂ by high temperature mass spectrometry, J. Chem. Phys., 1972, 57, 3654. [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]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [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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Symbols used in this document:

EA	Electron affinity
IE (evaluated)	Recommended ionization energy
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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