Dichloromethyl radical
- Formula: CHCl2
- Molecular weight: 83.925
- IUPAC Standard InChIKey: ZJULYDCRWUEPTK-UHFFFAOYSA-N
- CAS Registry Number: 3474-12-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
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.
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: 3d
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 54024 ± 10 | gas | 3d-X | 179 | 185 | Long and Hudgens, 1987 | ||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 2 | CCl2 s-stretch | 845 ± 10 | gas | MPI | Long and Hudgens, 1987 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 4 | Deformation | 190 ± 50 | gas | PE | Vogelhuber, Wren, et al., 2011 | |
a | 5 | HCCl deform. | 1226 | m | Ar | IR | Carver and Andrews, 1969 Fridgen, Zhang, et al., 2000 |
5 | HCCl deform. | 1222 | Kr | IR | Fridgen, Zhang, et al., 2000 | ||
6 | CCl2 a-stretch | 902 | vs | Ar | IR | Carver and Andrews, 1969 Fridgen, Zhang, et al., 2000 | |
6 | CCl2 a-stretch | 896 | Kr | IR | Fridgen, Zhang, et al., 2000 | ||
Additional references: Jacox, 1994, page 177; Jacox, 2003, page 199; Rogers, Abramowitz, et al., 1970
Notes
m | Medium |
vs | Very strong |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
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.
Long and Hudgens, 1987
Long, G.R.; Hudgens, J.W.,
Resonance enhanced multiphoton ionization spectroscopy of dichloromethyl and dichloromethyl-d radicals,
J. Phys. Chem., 1987, 91, 23, 5870, https://doi.org/10.1021/j100307a011
. [all data]
Vogelhuber, Wren, et al., 2011
Vogelhuber, K.M.; Wren, S.W.; McCoy, A.B.; Ervin, K.M.; Lineberger, W.C.,
Photoelectron spectra of dihalomethyl anions: Testing the limits of normal mode analysis,
J. Chem. Phys., 2011, 134, 18, 184306, https://doi.org/10.1063/1.3585606
. [all data]
Carver and Andrews, 1969
Carver, T.G.; Andrews, L.,
Matrix Infrared Spectrum and Bonding in the Dichloromethyl Radical,
J. Chem. Phys., 1969, 50, 10, 4235, https://doi.org/10.1063/1.1670888
. [all data]
Fridgen, Zhang, et al., 2000
Fridgen, T.D.; Zhang, X.K.; Parnis, J.M.; March, R.E.,
Isomerization and Fragmentation Products of CH,
J. Phys. Chem. A, 2000, 104, 16, 3487, https://doi.org/10.1021/jp993162u
. [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]
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]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.