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Dibromomethylene


Gas phase ion energetics data

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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 ± 0.10LPESWren, 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 ± 0.082IMRBBorn, Ingemann, et al., 2000B
1.880 ± 0.070LPESSchwartz, Davico, et al., 1999triplet 2±3 kcal/mol up from singlet; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.11 ± 0.09EIReed and Snedden, 1958RDSH

Vibrational and/or electronic energy levels

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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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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

wWeak
sStrong
oEnergy 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