Titanium ion (1+)
- Formula: Ti+
- Molecular weight: 47.866
- IUPAC Standard InChI: InChI=1S/Ti/q+1
- IUPAC Standard InChIKey: NWCHXEGXZIUQJS-UHFFFAOYSA-N
- CAS Registry Number: 14067-04-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Titanium cation
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Ion clustering 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 compiled as indicated in comments:
RCD - Robert C. Dunbar
M - 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: Ti+ + CO = (Ti+ • CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 28.2 ± 1.4 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( •
) +
= (
• 2
)
By formula: (Ti+ • CO) + CO = (Ti+ • 2CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.0 ± 1.0 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( • 2
) +
= (
• 3
)
By formula: (Ti+ • 2CO) + CO = (Ti+ • 3CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.9 ± 1.0 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( • 3
) +
= (
• 4
)
By formula: (Ti+ • 3CO) + CO = (Ti+ • 4CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.8 ± 1.0 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( • 4
) +
= (
• 5
)
By formula: (Ti+ • 4CO) + CO = (Ti+ • 5CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.7 ± 1.0 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( • 5
) +
= (
• 6
)
By formula: (Ti+ • 5CO) + CO = (Ti+ • 6CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.7 ± 0.7 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
( • 6
) +
= (
• 7
)
By formula: (Ti+ • 6CO) + CO = (Ti+ • 7CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.4 ± 1.7 | kcal/mol | CIDT | Meyer and Armentrout, 1996 | RCD |
+
= (
•
)
By formula: Ti+ + CS = (Ti+ • CS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.8 ± 1.4 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
+
= (
•
)
By formula: Ti+ + C2H2 = (Ti+ • C2H2)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 60.5 (+4.8,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
+
= (
•
)
By formula: Ti+ + C2H4 = (Ti+ • C2H4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 34.9 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 28.4 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
+
= (
•
)
By formula: Ti+ + C4H4N2 = (Ti+ • C4H4N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.1 ± 2.5 | kcal/mol | CIDT | Amunugama and Rodgers, 2001 | RCD |
+
= (
•
)
By formula: Ti+ + C5H5N = (Ti+ • C5H5N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 51.9 ± 2.3 | kcal/mol | CIDT | Rodgers, Stanley, et al., 2000 | RCD |
+
= (
•
)
By formula: Ti+ + C5H5N5 = (Ti+ • C5H5N5)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | ≤81.1 ± 3.5 | kcal/mol | CIDT | Rodgers and Armentrout, 2002 | RCD |
+
= (
•
)
By formula: Ti+ + C6H6 = (Ti+ • C6H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 50.9 | kcal/mol | RAK | Gapeev and Dunbar, 2002 | RCD |
| ΔrH° | 61.9 ± 2.2 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 61.8 (+2.1,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
( •
) +
= (
• 2
)
By formula: (Ti+ • C6H6) + C6H6 = (Ti+ • 2C6H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 60.5 ± 4.3 | kcal/mol | CIDT | Meyer, Khan, et al., 1995 | RCD |
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 60.4 (+4.4,-0.) | CID | Meyer, Khan, et al., 1995 | gas phase; guided ion beam CID; M |
+
= (
•
)
By formula: Ti+ + H2O = (Ti+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 38. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 36.8 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( •
) +
= (
• 2
)
By formula: (Ti+ • H2O) + H2O = (Ti+ • 2H2O)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 32.5 (+1.2,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 2
) +
= (
• 3
)
By formula: (Ti+ • 2H2O) + H2O = (Ti+ • 3H2O)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.0 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 3
) +
= (
• 4
)
By formula: (Ti+ • 3H2O) + H2O = (Ti+ • 4H2O)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 20.0 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
+
= (
•
)
By formula: Ti+ + H3N = (Ti+ • H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 46.6 ± 1.7 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
( •
) +
= (
• 2
)
By formula: (Ti+ • H3N) + H3N = (Ti+ • 2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 41.8 ± 3.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
( • 2
) +
= (
• 3
)
By formula: (Ti+ • 2H3N) + H3N = (Ti+ • 3H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 42.1 ± 3.6 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
( • 3
) +
= (
• 4
)
By formula: (Ti+ • 3H3N) + H3N = (Ti+ • 4H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 37.3 ± 2.4 | kcal/mol | CIDT | Walter and Armentrout, 1998 | RCD |
+
= (
•
)
By formula: Ti+ + Ti = (Ti+ • Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 58.3 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( •
) +
= (
• 2
)
By formula: (Ti+ • Ti) + Ti = (Ti+ • 2Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 55.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 2
) +
= (
• 3
)
By formula: (Ti+ • 2Ti) + Ti = (Ti+ • 3Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 80.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 3
) +
= (
• 4
)
By formula: (Ti+ • 3Ti) + Ti = (Ti+ • 4Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 81.3 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 4
) +
= (
• 5
)
By formula: (Ti+ • 4Ti) + Ti = (Ti+ • 5Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 84.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 5
) +
= (
• 6
)
By formula: (Ti+ • 5Ti) + Ti = (Ti+ • 6Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 95.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 6
) +
= (
• 7
)
By formula: (Ti+ • 6Ti) + Ti = (Ti+ • 7Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 66.4 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 7
) +
= (
• 8
)
By formula: (Ti+ • 7Ti) + Ti = (Ti+ • 8Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 82.7 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 8
) +
= (
• 9
)
By formula: (Ti+ • 8Ti) + Ti = (Ti+ • 9Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 80.1 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 9
) +
= (
• 10
)
By formula: (Ti+ • 9Ti) + Ti = (Ti+ • 10Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 82.2 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 10
) +
= (
• 11
)
By formula: (Ti+ • 10Ti) + Ti = (Ti+ • 11Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 97.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 11
) +
= (
• 12
)
By formula: (Ti+ • 11Ti) + Ti = (Ti+ • 12Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 112.3 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 12
) +
= (
• 13
)
By formula: (Ti+ • 12Ti) + Ti = (Ti+ • 13Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 76.7 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 13
) +
= (
• 14
)
By formula: (Ti+ • 13Ti) + Ti = (Ti+ • 14Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 95.6 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 14
) +
= (
• 15
)
By formula: (Ti+ • 14Ti) + Ti = (Ti+ • 15Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 86.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 15
) +
= (
• 16
)
By formula: (Ti+ • 15Ti) + Ti = (Ti+ • 16Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 82.2 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 16
) +
= (
• 17
)
By formula: (Ti+ • 16Ti) + Ti = (Ti+ • 17Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 76.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 17
) +
= (
• 18
)
By formula: (Ti+ • 17Ti) + Ti = (Ti+ • 18Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 107.5 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 18
) +
= (
• 19
)
By formula: (Ti+ • 18Ti) + Ti = (Ti+ • 19Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 97.8 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 19
) +
= (
• 20
)
By formula: (Ti+ • 19Ti) + Ti = (Ti+ • 20Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 94.4 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
( • 20
) +
= (
• 21
)
By formula: (Ti+ • 20Ti) + Ti = (Ti+ • 21Ti)
Enthalpy of reaction
| ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 98.0 | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
References
Go To: Top, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Meyer and Armentrout, 1996
Meyer, F.; Armentrout, P.B.,
Sequential Bond Energies of Ti(CO)x+, x=1-7,
Molec. Phys., 1996, 88, 187. [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B.,
Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation,
Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X
. [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]
Sievers, Jarvis, et al., 1998
Sievers, M.R.; Jarvis, L.M.; Armentrout, P.B.,
Transition Metal Ethene Bonds: Thermochemistry of M+(C2H4)n (M=Ti-Cu, n=1 and 2) Complexes,
J. Am. Chem. Soc., 1998, 120, 8, 1891, https://doi.org/10.1021/ja973834z
. [all data]
Amunugama and Rodgers, 2001
Amunugama, R.; Rodgers, M.T.,
Periodic Trends in the Binding of Metal Ions to Pyrimidine Studied by Threshold Collision-Induced Dissociation and Density Functional Theory,
J. Phys. Chem. A, 2001, 105, 43, 9883, https://doi.org/10.1021/jp010663i
. [all data]
Rodgers, Stanley, et al., 2000
Rodgers, M.T.; Stanley, J.R.; Amunugama, R.,
Periodic Trends in the Binding of Metal Ions to Pyridine Studied by Threshold Collision-Induced Dissociation and Density Functional Theory,
J. Am. Chem. Soc., 2000, 122, 44, 10969, https://doi.org/10.1021/ja0027923
. [all data]
Rodgers and Armentrout, 2002
Rodgers, M.T.; Armentrout, P.B.,
Influence of d orbital occupation on the binding of metal ions to adenine,
J. Am. Chem. Soc., 2002, 124, 11, 2678, https://doi.org/10.1021/ja011278+
. [all data]
Gapeev and Dunbar, 2002
Gapeev, A.; Dunbar, R.C.,
Reactivity and Binding Energies of Transition Metal Halide Ions with Benzene,
J. Am. Soc. Mass Spectrom., 2002, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2
. [all data]
Meyer, Khan, et al., 1995
Meyer, F.; Khan, F.A.; Armentrout, P.B.,
Thermochemistry of Transition Metal Benzene complexes: Binding energies of M(C6H6)x+ (x = 1,2) for M = Ti to Cu,
J. Am. Chem. Soc., 1995, 117, 38, 9740, https://doi.org/10.1021/ja00143a018
. [all data]
Magnera, David, et al., 1989
Magnera, T.F.; David, D.E.; Michl, J.,
Gas -Phase Water and Hydroxyl Binding Energies for Monopoisitive First - Row Transition - Metal Ions,
J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a051
. [all data]
Walter and Armentrout, 1998
Walter, D.; Armentrout, P.B.,
Periodic Trends in Chemical Reactivity: Reactions of Sc+, Y+, La+, and Lu+ with H2, D2 and HD,
J. Am. Chem. Soc., 1998, 120, 13, 3176, https://doi.org/10.1021/ja973202c
. [all data]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
T Temperature ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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