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 - Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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- NIST Atomic Spectra Database - Lines Holdings (on physics web site)
- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
- NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data
Go To: Top, Condensed 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 113. ± 0.7 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| ΔfH°gas | 113.20 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 43.0923 ± 0.0024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| S°gas,1 bar | 43.093 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1979 |
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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 3630.956 to 6000. |
|---|---|
| A | 2.216600 |
| B | 1.456050 |
| C | 0.137929 |
| D | -0.026378 |
| E | 1.554591 |
| F | 115.4420 |
| G | 48.79460 |
| H | 113.2000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1979 |
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 |
|---|---|---|---|---|---|
| ΔfH°liquid | 3.262 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 9.364 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1979 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 7.342 ± 0.024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 1939. to 3630.956 |
|---|---|
| A | 11.28990 |
| B | 4.720820×10-9 |
| C | -1.275131×10-9 |
| D | 1.172110×10-10 |
| E | 3.740091×10-9 |
| F | -5.270729 |
| G | 15.82270 |
| H | 3.262912 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1979 |
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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 700. | 700. to 1700. | 298. to 1939. |
|---|---|---|---|
| A | 5.406172 | 10.60510 | 5.510660 |
| B | 4.538229 | -10.53830 | 1.324410 |
| C | -4.346881 | 7.577921 | -0.491367 |
| D | 1.692350 | 0.012478 | 0.385216 |
| E | -0.034287 | 0.008644 | -0.013402 |
| F | -1.893470 | -3.040180 | -0.103544 |
| G | 12.52620 | 22.24850 | 15.32670 |
| H | 0.000000 | 0.000000 | 1.639581 |
| Reference | Chase, 1998 | Chase, 1998 | Chase, 1998 |
| Comment | α phase; Data last reviewed in June, 1979 | α phase; Data last reviewed in June, 1979 | β phase; Data last reviewed in June, 1979 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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:
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) | 209. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 204.0 | kcal/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, 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.
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]
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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- 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) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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