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, 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.

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. - 1200.1200. - 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

Vibrational and/or electronic energy levels

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 compiled by: Marilyn E. Jacox

State:   M


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 57733 ± 10 gas M-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 542 ± 3 gas MPI Hudgens, Johnson, et al., 1990

State:   L


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 56409 ± 10 gas L-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 533 ± 15 gas MPI Hudgens, Johnson, et al., 1990

State:   K


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 56236 ± 10 gas K-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 526 ± 16 gas MPI Hudgens, Johnson, et al., 1990

State:   J


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 53471 ± 10 gas J-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 530 ± 20 gas MPI Hudgens, Johnson, et al., 1990

State:   G


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 51218 ± 10 gas G-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 520 ± 17 gas MPI Hudgens, Johnson, et al., 1990

State:   F


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 47868 ± 10 gas F-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 528 ± 3 gas MPI Hudgens, Johnson, et al., 1990

State:   E


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 47170 ± 10 gas E-X Hudgens, Johnson, et al., 1990


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 Sym. stretch 544 ± 6 gas MPI Hudgens, Johnson, et al., 1990
a2 2 OPLA 509 ± 21 gas MPI Hudgens, Johnson, et al., 1990

State:   C


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 47400 ± 500 gas 195 265 Danis, Caralp, et al., 1989
Ellermann, 1992


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 OPLA 569 ± 63 gas AB Ellermann, 1992

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Td = 32500 U gas Hintsa, Zhao, et al., 1991

State:   ?


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 20400 T gas 420 700 Breitbarth and Berg, 1988

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a2 2 Umbrella 290 I gas MPI Hudgens, Johnson, et al., 1990
2 Umbrella 251 I gas MPI Hudgens, Johnson, et al., 1990
e 3 CCl stretch 898 vs Ar IR Andrews, 1967
Andrews, 1968
Current and Burdett, 1969
Rogers, Abramowitz, et al., 1970
Maltsev, Mikaelian, et al., 1971
3 CCl stretch 908.5 Ne IR Lugez, Jacox, et al., 1998

Additional references: Jacox, 1994, page 217; Jacox, 2003, page 240; Hesse, Leray, et al., 1971

Notes

vsVery strong
IComponent of an inversion doublet
UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
dPhotodissociation threshold

References

Go To: Top, Gas phase 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.

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

Hudgens, Johnson, et al., 1990
Hudgens, J.W.; Johnson, R.D., III; Tsai, B.P.; Kafafi, S.A., Experimental and ab initio studies of electronic structures of the CCl3 radical and cation, J. Am. Chem. Soc., 1990, 112, 5763. [all data]

Danis, Caralp, et al., 1989
Danis, F.; Caralp, F.; Veyret, B.; Loirat, H.; Lesclaux, R., The UV absorption spectrum of the CCl3 radical and the kinetics of its mutual combination reaction from 253 to 623 K, Int. J. Chem. Kinet., 1989, 21, 8, 715, https://doi.org/10.1002/kin.550210810 . [all data]

Ellermann, 1992
Ellermann, T., Fine structure of the CCl3 UV absorption spectrum and CCl3 kinetics, Chem. Phys. Lett., 1992, 189, 2, 175, https://doi.org/10.1016/0009-2614(92)85119-U . [all data]

Hintsa, Zhao, et al., 1991
Hintsa, E.J.; Zhao, X.; Jackson, W.M.; Miller, W.B.; Wodtke, A.M.; Lee, Y.T., Production and photodissociation of trichloromethyl radicals in a molecular beam, J. Phys. Chem., 1991, 95, 7, 2799, https://doi.org/10.1021/j100160a031 . [all data]

Breitbarth and Berg, 1988
Breitbarth, F.-W.; Berg, D., A continuous emission in weakly excited CCl4 discharges. CCl3 as possible emitter, Chem. Phys. Lett., 1988, 149, 3, 334, https://doi.org/10.1016/0009-2614(88)85037-1 . [all data]

Andrews, 1967
Andrews, L., None, J. Phys. Chem., 1967, 71, 8, 2761, https://doi.org/10.1021/j100867a073 . [all data]

Andrews, 1968
Andrews, L., Infrared Spectrum of the Trichloromethyl Radical in Solid Argon, J. Chem. Phys., 1968, 48, 3, 972, https://doi.org/10.1063/1.1668852 . [all data]

Current and Burdett, 1969
Current, J.H.; Burdett, J.K., Infrared spectra of .CCl3 and .CCl2Br isolated in an argon matrix, J. Phys. Chem., 1969, 73, 10, 3504, https://doi.org/10.1021/j100844a068 . [all data]

Rogers, Abramowitz, et al., 1970
Rogers, E.E.; Abramowitz, S.; Jacox, M.E.; Milligan, D.E., Matrix-Isolation Studies of the Infrared Spectra of the Free Radicals CCl3 and CBr3, J. Chem. Phys., 1970, 52, 5, 2198, https://doi.org/10.1063/1.1673285 . [all data]

Maltsev, Mikaelian, et al., 1971
Maltsev, A.K.; Mikaelian, R.G.; Nefedov, O.M.; Hauge, R.H.; Margrave, J.L., Pyrolysis of Organomercury Compounds: Investigation by the Method of Matrix Isolation, Proc. Natl. Acad. Sci. (U. S. A.), 1971, 68, 12, 3238, https://doi.org/10.1073/pnas.68.12.3238 . [all data]

Lugez, Jacox, et al., 1998
Lugez, C.L.; Jacox, M.E.; Johnson, R.D., III, Matrix isolation study of the interaction of excited neon atoms with CCl[sub 4]: Infrared spectra of the ion products and of Cl[sub 2]CCl••Cl, J. Chem. Phys., 1998, 109, 17, 7147, https://doi.org/10.1063/1.477397 . [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, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Hesse, Leray, et al., 1971
Hesse, C.; Leray, N.; Roncin, J., Etude par résonance paramagnétique électronique de la structure du radical, Mol. Phys., 1971, 22, 1, 137, https://doi.org/10.1080/00268977100102401 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References