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CF3 anion


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Ion clustering data, 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 as indicated in comments:
B - John E. Bartmess
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. 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

CF3- + Hydrogen cation = Fluoroform

By formula: CF3- + H+ = CHF3

Quantity Value Units Method Reference Comment
Deltar1582. ± 5.9kJ/molD-EADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar1577. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar1573. ± 19.kJ/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar1549. ± 6.3kJ/molH-TSDeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar1545. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B

(CF3- bullet 4294967295Methylene, difluoro-) + Methylene, difluoro- = CF3-

By formula: (CF3- bullet 4294967295CF2) + CF2 = CF3-

Quantity Value Units Method Reference Comment
Deltar208. ± 10.kJ/molN/ADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar213. ± 12.kJ/molN/ABartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar234. ± 11.kJ/molCIDTPaulino and Squires, 1991gas phase; Neutral heat is based on a fluoroform acidity that may be too weak by up to 5 kcal/mol; B

(CF3- bullet 3Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 4Tetrafluoromethane)

By formula: (CF3- bullet 3CF4) + CF4 = (CF3- bullet 4CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M

(CF3- bullet 2Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 3Tetrafluoromethane)

By formula: (CF3- bullet 2CF4) + CF4 = (CF3- bullet 3CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- bullet Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 2Tetrafluoromethane)

By formula: (CF3- bullet CF4) + CF4 = (CF3- bullet 2CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

CF3- + Tetrafluoromethane = (CF3- bullet Tetrafluoromethane)

By formula: CF3- + CF4 = (CF3- bullet CF4)

Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering data, 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: John E. Bartmess

Protonation reactions

CF3- + Hydrogen cation = Fluoroform

By formula: CF3- + H+ = CHF3

Quantity Value Units Method Reference Comment
Deltar1582. ± 5.9kJ/molD-EADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum
Deltar1577. ± 8.8kJ/molG+TSBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale
Deltar1573. ± 19.kJ/molCIDTGraul and Squires, 1990gas phase
Quantity Value Units Method Reference Comment
Deltar1549. ± 6.3kJ/molH-TSDeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum
Deltar1545. ± 8.4kJ/molIMREBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 as indicated in comments:
B - John E. Bartmess
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

(CF3- bullet 4294967295Methylene, difluoro-) + Methylene, difluoro- = CF3-

By formula: (CF3- bullet 4294967295CF2) + CF2 = CF3-

Quantity Value Units Method Reference Comment
Deltar208. ± 10.kJ/molN/ADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar213. ± 12.kJ/molN/ABartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar234. ± 11.kJ/molCIDTPaulino and Squires, 1991gas phase; Neutral heat is based on a fluoroform acidity that may be too weak by up to 5 kcal/mol; B

CF3- + Tetrafluoromethane = (CF3- bullet Tetrafluoromethane)

By formula: CF3- + CF4 = (CF3- bullet CF4)

Quantity Value Units Method Reference Comment
Deltar15.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- bullet Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 2Tetrafluoromethane)

By formula: (CF3- bullet CF4) + CF4 = (CF3- bullet 2CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- bullet 2Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 3Tetrafluoromethane)

By formula: (CF3- bullet 2CF4) + CF4 = (CF3- bullet 3CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- bullet 3Tetrafluoromethane) + Tetrafluoromethane = (CF3- bullet 4Tetrafluoromethane)

By formula: (CF3- bullet 3CF4) + CF4 = (CF3- bullet 4CF4)

Quantity Value Units Method Reference Comment
Deltar14.kJ/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar110.J/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 1050.1 w T Ne IR Forney, Jacox, et al., 1994
e 3 CF3 stretch 778.4 m T Ne IR Forney, Jacox, et al., 1994

Additional references: Jacox, 1998, page 263

Notes

wWeak
mMedium
TTentative assignment or approximate value

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.

Deyerl, Alconcel, et al., 2001
Deyerl, H.J.; Alconcel, L.S.; Continetti, R.E., Photodetachment imaging studies of the electron affinity of CF3, J. Phys. Chem. A, 2001, 105, 3, 552-557, https://doi.org/10.1021/jp003137k . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R., Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2, J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Hiraoka, Nasu, et al., 1995
Hiraoka, K.; Nasu, M.; Fujimaki, S.; Ignacio, E.W.; Yamabe, S., Weak Ion-Molecule Complexes of F-(CF4)n and CF3-(CF4)n, Chem Phys. Let., 1995, 245, 1, 14, https://doi.org/10.1016/0009-2614(95)00980-I . [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]

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, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References