Dibromomethylene
- Formula: CBr2
- Molecular weight: 171.819
- IUPAC Standard InChIKey: WNLFIUJNNYMFIZ-UHFFFAOYSA-N
- CAS Registry Number: 4371-77-1
- 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to CBr2+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.78 ± 0.10 | LPES | Wren, Vogelhuber, et al., 2009 | Schwartz, Davico, et al., 1999 contaminated with HCBr2-. Here, Vertical Detachment Energy = 2.25 eV; Triplet >3 kcal/mol up, but uncertain; B |
1.928 ± 0.082 | IMRB | Born, Ingemann, et al., 2000 | B |
1.880 ± 0.070 | LPES | Schwartz, Davico, et al., 1999 | triplet 2±3 kcal/mol up from singlet; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.11 ± 0.09 | EI | Reed and Snedden, 1958 | RDSH |
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: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 15279 | gas | A-X | 525 | 1011 | Zhou, Zhan, et al., 1990 | ||
Xu and Harmony, 1993 | |||||||
Lee, Liu, et al., 2003 | |||||||
Hsu, Chang, et al., 2005 | |||||||
Tao, Mukarakate, et al., 2006 | |||||||
Tao, Mukarakate, et al., 2007 | |||||||
Tao, Mukarakate, et al., 2007, 2 | |||||||
Al-Samra and Western, 2010 | |||||||
To = 15158 | Ar | A-X | 600 | 857 | Tevault and Andrews, 1975 | ||
Bondybey and English, 1980 | |||||||
Tao, Mukarakate, et al., 2006 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 473.6 ± 0.4 | gas | LF | Zhou, Zhan, et al., 1990 Xu and Harmony, 1993 Tao, Mukarakate, et al., 2007, 2 | |
1 | Sym. stretch | 468 | Ar | LF | Bondybey and English, 1980 | ||
2 | Bend | 185.2 | gas | LF | Zhou, Zhan, et al., 1990 Xu and Harmony, 1993 Tao, Mukarakate, et al., 2007, 2 | ||
2 | Bend | 186 | Ar | LF | Bondybey and English, 1980 | ||
State: a
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = >15330 | gas | Wren, Vogelhuber, et al., 2009, 2 | |||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a1 | 1 | Sym. stretch | 598 | gas | LF | Xu and Harmony, 1993 Lee, Liu, et al., 2003 Hsu, Chang, et al., 2005 Wren, Vogelhuber, et al., 2009, 2 | |
1 | Sym. stretch | 595 | w | Ar | IR | Andrews and Carver, 1968 Rogers, Abramowitz, et al., 1970 | |
2 | Bend | 194 | w | gas | LF | Lee, Liu, et al., 2003 Hsu, Chang, et al., 2005 Wren, Vogelhuber, et al., 2009, 2 | |
2 | Bend | 196 | Ar | LF | Tevault and Andrews, 1975 Bondybey and English, 1980 | ||
b2 | 3 | Asym. stretch | 660 ± 5 | gas | LF | Hsu, Chang, et al., 2005 | |
3 | Asym. stretch | 641 | s | Ar | IR | Andrews and Carver, 1968 Rogers, Abramowitz, et al., 1970 | |
Additional references: Jacox, 1994, page 100; Jacox, 2003, page 139
Notes
w | Weak |
s | Strong |
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
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.
Wren, Vogelhuber, et al., 2009
Wren, S.W.; Vogelhuber, K.M.; Ervin, K.M.; Lineberger, W.C.,
The photoelectron spectrum of CCl2-: the convergence of theory and experiment after a decade of debate,
Phys. Chem. Chem. Phys., 2009, 11, 23, 4745-4753, https://doi.org/10.1039/b822690c
. [all data]
Schwartz, Davico, et al., 1999
Schwartz, R.L.; Davico, G.E.; Ramond, T.M.; Lineberger, W.C.,
Singlet-triplet splittings in CX2 (X = F, Cl, Br, I) dihalocarbenes via negative ion photoelectron spectroscopy,
J. Phys. Chem. A, 1999, 103, 41, 8213-8221, https://doi.org/10.1021/jp992214c
. [all data]
Born, Ingemann, et al., 2000
Born, M.; Ingemann, S.; Nibbering, N.M.M.,
Thermochemical properties of halogen-substituted methanes, methyl radicals, and carbenes in the gas phase,
Int. J. Mass Spectrom., 2000, 194, 2-3, 103-113, https://doi.org/10.1016/S1387-3806(99)00125-6
. [all data]
Reed and Snedden, 1958
Reed, R.I.; Snedden, W.,
Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon,
J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]
Zhou, Zhan, et al., 1990
Zhou, S.K.; Zhan, M.S.; Shi, J.L.; Wang, C.X.,
Gas phase spectrum of dibromocarbene studied by laser-induced fluorescence,
Chem. Phys. Lett., 1990, 166, 5-6, 547, https://doi.org/10.1016/0009-2614(90)87149-L
. [all data]
Xu and Harmony, 1993
Xu, S.; Harmony, M.D.,
LIF excitation spectrum of dibromocarbene in a supersonic free-jet expansion,
J. Phys. Chem., 1993, 97, 29, 7465, https://doi.org/10.1021/j100131a013
. [all data]
Lee, Liu, et al., 2003
Lee, C.-L.; Liu, M.-L.; Chang, B.-C.,
Electronic spectroscopy of bromomethylenes in a supersonic free jet expansion,
Phys. Chem. Chem. Phys., 2003, 5, 18, 3859, https://doi.org/10.1039/b307449h
. [all data]
Hsu, Chang, et al., 2005
Hsu, H.-J.; Chang, W.-Z.; Chang, B.-C.,
Dispersed fluorescence spectroscopy of the CBr2Ã1B1--X1A1 transition,
Phys. Chem. Chem. Phys., 2005, 7, 12, 2468, https://doi.org/10.1039/b505434f
. [all data]
Tao, Mukarakate, et al., 2006
Tao, C.; Mukarakate, C.; Brusse, D.; Mishchenko, Y.; Reid, S.A.,
Reassignment of the electronic origin in the system of dibromocarbene,
J. Mol. Spectrosc., 2006, 240, 1, 139, https://doi.org/10.1016/j.jms.2006.09.006
. [all data]
Tao, Mukarakate, et al., 2007
Tao, C.; Mukarakate, C.; Reid, S.A.,
Single vibronic level emission spectroscopy of the system of dibromocarbene,
J. Mol. Spectrosc., 2007, 241, 2, 136, https://doi.org/10.1016/j.jms.2006.11.009
. [all data]
Tao, Mukarakate, et al., 2007, 2
Tao, C.; Mukarakate, C.; Brusse, D.; Mishchenko, Y.; Reid, S.A.,
Electronic spectroscopy, lifetimes, and barrier to linearity in the system of dibromocarbene,
J. Mol. Spectrosc., 2007, 241, 2, 180, https://doi.org/10.1016/j.jms.2006.12.005
. [all data]
Al-Samra and Western, 2010
Al-Samra, E.H.; Western, C.M.,
High resolution spectroscopy of the Ã1B1--A1 transition of CBr2,
J. Mol. Spectrosc., 2010, 260, 2, 135, https://doi.org/10.1016/j.jms.2010.02.001
. [all data]
Tevault and Andrews, 1975
Tevault, D.E.; Andrews, L.,
Laser-induced fluorescence studies of alkali metal atom-carbon tetrahalide matrix reaction products. Fluorescence spectra of dibromome thylene and bromochloromethylene in solid argon at 15.deg.K,
J. Am. Chem. Soc., 1975, 97, 7, 1707, https://doi.org/10.1021/ja00840a014
. [all data]
Bondybey and English, 1980
Bondybey, V.E.; English, J.H.,
Laser excitation spectra and lifetimes of CBrCl and CBr2 in solid Ar,
J. Mol. Spectrosc., 1980, 79, 2, 416, https://doi.org/10.1016/0022-2852(80)90222-2
. [all data]
Wren, Vogelhuber, et al., 2009, 2
Wren, S.W.; Vogelhuber, K.M.; Ervin, K.M.; Lineberger, W.C.,
The photoelectron spectrum of CCl2-: the convergence of theory and experiment after a decade of debate,
Phys. Chem. Chem. Phys., 2009, 11, 23, 4745, https://doi.org/10.1039/b822690c
. [all data]
Andrews and Carver, 1968
Andrews, L.; Carver, T.G.,
Reactions of Alkali-Metal Atoms with Carbon Tetrabromide. Infrared Spectra and Bonding in the Tribromomethyl Radical and Dibromocarbene in Solid Argon,
J. Chem. Phys., 1968, 49, 2, 896, https://doi.org/10.1063/1.1670158
. [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]
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]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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