Trichloromethyl radical

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, 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
Δfgas19.00kcal/molReviewChase, 1998Data last reviewed in June, 1970
Quantity Value Units Method Reference Comment
gas,1 bar70.944cal/mol*KReviewChase, 1998Data last reviewed in June, 1970

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.

View table.

Temperature (K) 298. to 1200.1200. to 6000.
A 13.3812019.82470
B 15.043100.025717
C -13.17020-0.005105
D 4.0645890.000348
E -0.141965-0.669251
F 13.9734011.13870
G 82.4025191.92811
H 19.0000019.00000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1970 Data last reviewed in June, 1970

Gas phase ion energetics data

Go To: Top, Gas 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:
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 CCl3+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.109 ± 0.005eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
2.160 ± 0.096D-EAPaulino and Squires, 1991B
2.19 ± 0.27D-EABohme, Lee-Ruff, et al., 1972> acetone, <= C5H6; value altered from reference due to change in acidity scale; B
>1.89068EIAEIllenberger, Baumgartel, et al., 1979From CFCl3; B
>2.10 ± 0.35EIAECurran, 1961From CFCl3; B
2.58 ± 0.20EIAEScheunemann, Illenberger, et al., 1980From CCl4; B
1.30 ± 0.30NBAEDispert and Lacmann, 1978From CHCl3, CCl4; B
1.435 ± 0.050SIGaines, Kay, et al., 1966The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.06 ± 0.02PERobles and Chen, 1994LL
8.109 ± 0.005LSHudgens, Johnson, et al., 1991LL
8.7 ± 0.1EIKime, Driscoll, et al., 1987LBLHLM
8.28EILossing, 1972LLK
8.78 ± 0.05EIFarmer, Henderson, et al., 1956RDSH

References

Go To: Top, Gas 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]

Bohme, Lee-Ruff, et al., 1972
Bohme, D.K.; Lee-Ruff, E.; Young, L.B., Acidity order of selected bronsted acids in the gas phase at 300K, J. Am. Chem. Soc., 1972, 94, 5153. [all data]

Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H., Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons, Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8 . [all data]

Curran, 1961
Curran, R.K., Positive and Negative Ion Formation in CCl3F, J. Chem. Phys., 1961, 34, 3, 1069, https://doi.org/10.1063/1.1731647 . [all data]

Scheunemann, Illenberger, et al., 1980
Scheunemann, H.U.; Illenberger, E.; Baumgartel, H., Dissociative electron attachment to CCl4, CHCl3, CH2Cl2, and CH3Cl, Ber. Bunsen-Ges. Phys. Chem., 1980, 84, 580. [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

Gaines, Kay, et al., 1966
Gaines, A.F.; Kay, J.; Page, F.M., Determination of Electron Affinities. Part 8. - CCl4, CHCl3, and CH2Cl2, Trans. Farad. Soc., 1966, 62, 874, https://doi.org/10.1039/tf9666200874 . [all data]

Robles and Chen, 1994
Robles, E.S.J.; Chen, P., An ab initio and photoelectron spectroscopic study of the trichloromethyl radical and cation, J. Phys. Chem., 1994, 98, 6919. [all data]

Hudgens, Johnson, et al., 1991
Hudgens, J.W.; Johnson, R.D.; Timonen, S.; Seetula, J.A.; Seetula, J.A.; Gutman, D., Kinetics of the reaction Br2 + CCl3, and the thermochemistry of the CCl3 radical and cation, J. Phys. Chem., 1991, 95, 4400. [all data]

Kime, Driscoll, et al., 1987
Kime, Y.J.; Driscoll, D.C.; Dowben, P.A., The stability of the carbon tetrahalide ions, J. Chem. Soc. Faraday Trans. 2, 1987, 83, 403. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLIV. Ionization potentials bond dissociation energies for chloro-and fluoromethyl radicals, Bull. Soc. Chim. Belg., 1972, 81, 125. [all data]

Farmer, Henderson, et al., 1956
Farmer, J.B.; Henderson, I.H.S.; Lossing, F.P.; Marsden, D.G.H., Free radicals by mass spectrometry. IX. Ionization potentials of CF3 and CCl3 radicals and bond dissociation energies in some derivatives, J. Chem. Phys., 1956, 24, 348. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References