Trifluoromethyl cation
- Formula: CF3+
- Molecular weight: 69.0054
- IUPAC Standard InChI: InChI=1S/CF3/c2-1(3)4/q+1
- IUPAC Standard InChIKey: VRLAJHMZTGBAOE-UHFFFAOYSA-N
- CAS Registry Number: 18851-76-8
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, 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: 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
( • 2
) +
= (
• 3
)
By formula: (CF3+ • 2N2) + N2 = (CF3+ • 3N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.0 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (CF3+ • 3N2) + N2 = (CF3+ • 4N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.8 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (CF3+ • 4N2) + N2 = (CF3+ • 5N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.5 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 12. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( •
) +
= (
• 2
)
By formula: (CF3+ • N2) + N2 = (CF3+ • 2N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.1 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 2
) +
= (
• 3
)
By formula: (CF3+ • 2CO) + CO = (CF3+ • 3CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.8 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (CF3+ • 3CO) + CO = (CF3+ • 4CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 5.4 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 4
) +
= (
• 5
)
By formula: (CF3+ • 4CO) + CO = (CF3+ • 5CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 3.2 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 26. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 5
) +
= (
• 6
)
By formula: (CF3+ • 5CO) + CO = (CF3+ • 6CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.9 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 6
) +
= (
• 7
)
By formula: (CF3+ • 6CO) + CO = (CF3+ • 7CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.6 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( •
) +
= (
• 2
)
By formula: (CF3+ • CO) + CO = (CF3+ • 2CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.3 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 2
) +
= (
• 3
)
By formula: (CF3+ • 2CF4) + CF4 = (CF3+ • 3CF4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.9 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( • 3
) +
= (
• 4
)
By formula: (CF3+ • 3CF4) + CF4 = (CF3+ • 4CF4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.8 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
( •
) +
= (
• 2
)
By formula: (CF3+ • CF4) + CF4 = (CF3+ • 2CF4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.9 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
+
= (
•
)
By formula: CF3+ + N2 = (CF3+ • N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.0 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
+
= (
•
)
By formula: CF3+ + H2O = (CF3+ • H2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.6 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.8 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase |
+
= (
•
)
By formula: CF3+ + CO = (CF3+ • CO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.0 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 30. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
+
= (
•
)
By formula: CF3+ + CH4 = (CF3+ • CH4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 4.6 | kcal/mol | HPMS | Bennet and Field, 1972 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.8 | cal/mol*K | HPMS | Bennet and Field, 1972 | gas phase |
+
= (
•
)
By formula: CF3+ + CF4 = (CF3+ • CF4)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.6 | kcal/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19. | cal/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Reaction 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 compiled by: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1' | 1 | CF3 s-stretch | 994 ± 16 | gas | TPE | Dossmann (Soldi-Lose), Garcia, et al., 2012 | |
| a2 | 2 | OPLA | 809 ± 14 | gas | TPE | Dossmann (Soldi-Lose), Garcia, et al., 2012 | |
| 2 | OPLA | 798.1 | Ne | IR | Forney, Jacox, et al., 1994 | ||
| e' | 3 | CF stretch | 1662.4 | Ne | IR | Andrews, 1989 Forney, Jacox, et al., 1994 | |
| 3 | CF stretch | 1667 | Ar | IR | Prochaska and Andrews, 1978 Jacox, 1984 Halasinski, Godbout, et al., 1994 | ||
Additional references: Jacox, 1994, page 210; Jacox, 1998, page 258
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hiraoka, Nasu, et al., 1996
Hiraoka, K.; Nasu, M.; Fujimaki, S.; Ignacio, E.W.; Yamabe, S.,
Gas-Phase Stability and Structure of the Cluster Ions CF3+(CO)n, CF3+(N2)n, CF3+((CF4)n, and CF4H+(CF4)n,
J. Phys. Chem., 1996, 100, 13, 5245, https://doi.org/10.1021/jp9530010
. [all data]
Bennet and Field, 1972
Bennet, S.L.; Field, F.H.,
Reversible Reactions of Gaseous Ions. VI. The NH3 - CH4, H2S - CH4 and CF4 - CH4 Systems at Low Temperatures,
J. Am. Chem. Soc., 1972, 94, 18, 6305, https://doi.org/10.1021/ja00773a009
. [all data]
Dossmann (Soldi-Lose), Garcia, et al., 2012
Dossmann (Soldi-Lose), H.; Garcia, G.A.; Nahon, L.; de Miranda, B.K.C.; Alcaraz, C.,
Comprehensive vacuum ultraviolet photoionization study of the CF3• trifluoromethyl radical using synchrotron radiation,
J. Chem. Phys., 2012, 136, 20, 204304, https://doi.org/10.1063/1.4719529
. [all data]
Forney, Jacox, et al., 1994
Forney, D.; Jacox, M.E.; Irikura, K.K.,
Matrix isolation study of the interaction of excited neon atoms with CF4. Infrared spectra of CF+3 and CF-3,
J. Chem. Phys., 1994, 101, 10, 8290, https://doi.org/10.1063/1.468094
. [all data]
Andrews, 1989
Andrews, L.,
Chemistry and Physics of Matrix-Isolated Species, L. Andrews and M. Moskovits, Eds., Elsevier, Amsterdam, 1989. [all data]
Prochaska and Andrews, 1978
Prochaska, F.T.; Andrews, L.,
Matrix photoionization studies of trifluoromethyl halide systems. Infrared spectra of the CF3+, CF2X+, and CF3X+ cations in solid argon,
J. Am. Chem. Soc., 1978, 100, 7, 2102, https://doi.org/10.1021/ja00475a021
. [all data]
Jacox, 1984
Jacox, M.E.,
Matrix-isolation study of the decomposition of CF3NNCF3 by photons and by excited rare-gas atom bombardment at energies between 4.9 and 16.8 eV,
Chem. Phys., 1984, 83, 1-2, 171, https://doi.org/10.1016/0301-0104(84)85231-3
. [all data]
Halasinski, Godbout, et al., 1994
Halasinski, T.M.; Godbout, J.T.; Allison, J.; Leroi, G.E.,
Infrared Detection of Matrix-Isolated, Mass-Selected Ions,
J. Phys. Chem., 1994, 98, 15, 3930, https://doi.org/10.1021/j100066a004
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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