Trichloromethyl radical
- Formula: CCl3
- Molecular weight: 118.370
- IUPAC Standard InChIKey: ZBZJXHCVGLJWFG-UHFFFAOYSA-N
- CAS Registry Number: 3170-80-7
- Chemical structure:
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Vibrational and/or electronic energy levels
Go To: Top, 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
vs | Very strong |
I | Component of an inversion doublet |
U | Upper bound |
T | Tentative assignment or approximate value |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
x | Energy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state. |
d | Photodissociation threshold |
References
Go To: Top, 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.
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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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