Dibromomethyl radical
- Formula: CHBr2
- Molecular weight: 172.827
- IUPAC Standard InChIKey: HFPGRVHMFSJMOL-UHFFFAOYSA-N
- CAS Registry Number: 14362-13-1
- Chemical structure:
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Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to CHBr2+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.30 ± 0.03 | PE | Andrews, Dyke, et al., 1984 | LBLHLM |
8.13 ± 0.16 | EI | Reed and Snedden, 1956 | RDSH |
8.41 ± 0.03 | PE | Andrews, Dyke, et al., 1984 | Vertical value; LBLHLM |
Vibrational and/or electronic energy levels
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.
Data compiled by: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 2 | CBr s-stretch | 633 | w m | Ar | IR | Carver and Andrews, 1969 |
520 ± 30 | gas | PE | Vogelhuber, Wren, et al., 2011 | ||||
a | 5 | HCBr deform. | 1165 | s | Ar | IR | Carver and Andrews, 1969 Rogers, Abramowitz, et al., 1970 Andrews, Wight, et al., 1978 Andrews, Prochaska, et al., 1979 |
6 | CBr a-stretch | 778 | vs | Ar | IR | Carver and Andrews, 1969 Rogers, Abramowitz, et al., 1970 Andrews, Wight, et al., 1978 Andrews, Prochaska, et al., 1979 Kelsall and Andrews, 1983 | |
Additional references: Jacox, 1994, page 178
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
References
Go To: Top, Gas phase ion energetics 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.
Andrews, Dyke, et al., 1984
Andrews, L.; Dyke, J.M.; Jonathan, N.; Keddar, N.; orris, A.,
The first bands in the photoelectron spectra of the CH2Br, CD2Br, CHBr2, and CH2I free radicals,
J. Phys. Chem., 1984, 88, 1950. [all data]
Reed and Snedden, 1956
Reed, R.I.; Snedden, W.,
Studies in electron impact methods. Part 6.-The formation of the methine and carbon ions,
J. Chem. Soc. Faraday Trans., 1956, 55, 876. [all data]
Carver and Andrews, 1969
Carver, T.G.; Andrews, L.,
Matrix Infrared Spectrum and Bonding in the Dibromomethyl Radical,
J. Chem. Phys., 1969, 50, 10, 4223, https://doi.org/10.1063/1.1670887
. [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]
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]
Andrews, Wight, et al., 1978
Andrews, L.; Wight, C.A.; Prochaska, F.T.; McDonald, S.A.; Ault, B.S.,
Vacuum-ultraviolet photoionization of bromoform and its chlorine substituted counterparts during condensation with argon at 15 K,
J. Mol. Spectrosc., 1978, 73, 1, 120, https://doi.org/10.1016/0022-2852(78)90199-6
. [all data]
Andrews, Prochaska, et al., 1979
Andrews, L.; Prochaska, F.T.; Ault, B.S.,
Matrix photoionization and radiolysis of dichloromethane and dibromomethane. Infrared and ultraviolet absorption spectra and photolysis of CH2Cl2+ and CH2Br2+,
J. Am. Chem. Soc., 1979, 101, 1, 9, https://doi.org/10.1021/ja00495a002
. [all data]
Kelsall and Andrews, 1983
Kelsall, B.J.; Andrews, L.,
FTIR spectroscopic studies of the matrix photoionization and photolysis products of methylene halides,
J. Mol. Spectrosc., 1983, 97, 2, 362, https://doi.org/10.1016/0022-2852(83)90274-6
. [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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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