Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

CF3 anion


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 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

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 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, 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, Vibrational and/or electronic energy levels, References