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Phenyl radical

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Gas phase thermochemistry 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.

Quantity Value Units Method Reference Comment
Deltafgas339. ± 8.kJ/molN/ATsang, 1996 

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry 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:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 47281 Ar Radziszewski, 1999

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 40820 gas Ikeda, Nakashima, et al., 1985
Tx = 42535 Ar Radziszewski, 1999

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 18901.29 ± 0.03 gas A-X 440 530 Porter and Ward, 1965
Tonokura, 2002
Freel, Park, et al., 2011
To = 19589 Ar Radziszewski, 1999


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 9 Deformation 896.12 ± 0.06 gas AB CR Porter and Ward, 1965
Tonokura, 2002
Freel, Park, et al., 2011
10 Deformation 571.16 ± 0.06 gas AB CR Porter and Ward, 1965
Tonokura, 2002
Freel, Park, et al., 2011
b1 16 CH bend 726 gas AB CR Porter and Ward, 1965
Tonokura, 2002

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

13700 U gas Gunion, Gilles, et al., 1992

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 CH s-stretch 3086 w Ar IR Ra Pacansky and Brown, 1983
Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
2 CH s-stretch 3072 w Ar IR Ra Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
3 CH s-stretch 3037 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
4 Ring stretch 1497 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
5 Ring stretch 1441 w m Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
6 CH deform. 1154 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
7 Ring deform. 1027 w m Ar IR Ra Pacansky and Brown, 1983
Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
8 Ring breathing 997 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
9 Ring deform. 968 ± 15 gas PE Gunion, Gilles, et al., 1992
9 Ring deform. 976 w Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
10 Ring deform. 600 ± 10 gas PE Gunion, Gilles, et al., 1992
10 Ring deform. 605 w Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
a2 11 OPLA CH deform. 945 T Ar Ra Lapinski, Spanget-Larsen, et al., 2001
12 OPLA CH deform. 816 T Ar Ra Lapinski, Spanget-Larsen, et al., 2001
b1 14 CH deform. 990 w Ar IR Ra Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
15 CH deform. 874 w Ar IR Ra Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
16 CH deform. 706 vs Ar IR Ra Pacansky and Bargon, 1975
Pacansky, Gardini, et al., 1976
Miller, Andrews, et al., 1980
Jacox, 1982
Pacansky and Brown, 1983
Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
17 CH deform. 657 w Ar IR Ra Hatton, Hacker, et al., 1990
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
18 Deformation 416 w Ar IR Ra Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
b2 19 CH a-stretch 3071.89 gas LD Sharp, Roberts, et al., 2008
19 CH a-stretch 3071 w m Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
20 CH a-stretch 3060 w Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
21 Ring stretch 1593 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
22 Ring stretch 1432 w m Ar IR Ra Pacansky and Brown, 1983
Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Winkler and Sander, 2000
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
23 CH deform. 1310 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
24 Ring deform. 1283 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
25 CH deform. 1159 w Ar IR Ra Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
26 Ring deform. 1063 w Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001
27 Ring stretch 587 w Ar IR Ra Hatton, Hacker, et al., 1990
Radziszewski, Nimlos, et al., 1996
Friderichsen, Radziszewski, et al., 2001
Lapinski, Spanget-Larsen, et al., 2001

Additional references: Jacox, 1994, page 388; Jacox, 1998, page 346; Jacox, 2003, page 367; McMahon, McCarthy, et al., 2003

Notes

wWeak
mMedium
vsVery strong
UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry 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.

Tsang, 1996
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]

Radziszewski, 1999
Radziszewski, J.G., Electronic absorption spectrum of phenyl radical, Chem. Phys. Lett., 1999, 301, 5-6, 565, https://doi.org/10.1016/S0009-2614(99)00050-0 . [all data]

Ikeda, Nakashima, et al., 1985
Ikeda, N.; Nakashima, N.; Yoshihara, K., Observation of the ultraviolet absorption spectrum of phenyl radical in the gas phase, J. Am. Chem. Soc., 1985, 107, 11, 3381, https://doi.org/10.1021/ja00297a073 . [all data]

Porter and Ward, 1965
Porter, G.; Ward, B., The Electronic Spectra of Phenyl Radicals, Proc. Roy. Soc. (London) A287, 1965, 287, 1411, 457, https://doi.org/10.1098/rspa.1965.0190 . [all data]

Tonokura, 2002
Tonokura, K., Y.Norikane, 2002, M.Koshi, Y.Nakano, S.Nakamichi, M.Goto, S.Hashimoto, M.Kawasaki, M.P.Sulbaek Andersen, et al, J. Phys. Chem. A 106, 5908. [all data]

Freel, Park, et al., 2011
Freel, K.; Park, J.; Lin, M.C.; Heaven, M.C., Cavity ring-down spectroscopy of the phenyl radical in a pulsed discharge supersonic jet expansion, Chem. Phys. Lett., 2011, 507, 4-6, 216, https://doi.org/10.1016/j.cplett.2011.03.081 . [all data]

Gunion, Gilles, et al., 1992
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions., Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H . [all data]

Pacansky and Brown, 1983
Pacansky, J.; Brown, D.W., Photolysis of acetyl benzoyl peroxide isolated in an argon matrix: the stability of the benzoyloxy and acetoxy radicals towards decarboxylation, J. Phys. Chem., 1983, 87, 9, 1553, https://doi.org/10.1021/j100232a020 . [all data]

Hatton, Hacker, et al., 1990
Hatton, W.G.; Hacker, N.P.; Kasai, P.H., J. Chem. Soc., 1990, Chem. Commun. 227. [all data]

Radziszewski, Nimlos, et al., 1996
Radziszewski, J.G.; Nimlos, M.R.; Winter, P.R.; Ellison, G.B., Infrared Absorption Spectroscopy of the Phenyl Radical, J. Am. Chem. Soc., 1996, 118, 31, 7400, https://doi.org/10.1021/ja960617+ . [all data]

Winkler and Sander, 2000
Winkler, M.; Sander, W., Isolation of the Phenyl Cation in a Solid Argon Matrix, Angew. Chem. Int. Ed., 2000, 39, 11, 2014, https://doi.org/10.1002/1521-3773(20000602)39:11<2014::AID-ANIE2014>3.0.CO;2-E . [all data]

Friderichsen, Radziszewski, et al., 2001
Friderichsen, A.V.; Radziszewski, J.G.; Nimlos, M.R.; Winter, P.R.; Dayton, D.C.; David, D.E.; Ellison, G.E., The Infrared Spectrum of the Matrix-Isolated Phenyl Radical, J. Am. Chem. Soc., 2001, 123, 9, 1977, https://doi.org/10.1021/ja0024338 . [all data]

Lapinski, Spanget-Larsen, et al., 2001
Lapinski, A.; Spanget-Larsen, J.; Langgard, M.; Waluk, J.; Radziszewski, J.G., Raman Spectrum of the Phenyl Radical, J. Phys. Chem. A, 2001, 105, 46, 10520, https://doi.org/10.1021/jp0114900 . [all data]

Pacansky and Bargon, 1975
Pacansky, J.; Bargon, J., Low temperature photochemical studies on acetyl benzoyl peroxide. Observation of methyl and phenyl radicals by matrix isolation infrared spectroscopy, J. Am. Chem. Soc., 1975, 97, 23, 6896, https://doi.org/10.1021/ja00856a066 . [all data]

Pacansky, Gardini, et al., 1976
Pacansky, J.; Gardini, G.P.; Bargon, J., Low temperature studies on propionyl benzoyl peroxide and propionyl peroxide. The ethyl radical, J. Am. Chem. Soc., 1976, 98, 9, 2665, https://doi.org/10.1021/ja00425a045 . [all data]

Miller, Andrews, et al., 1980
Miller, J.H.; Andrews, L.; Lund, P.A.; Schatz, P.N., Argon matrix photolysis and photoionization studies of benzene. Absorption spectrum of benzene cation and benzene dimer cation, J. Chem. Phys., 1980, 73, 10, 4932, https://doi.org/10.1063/1.440023 . [all data]

Jacox, 1982
Jacox, M.E., Reaction of fluorine atoms with benzene. Vibrational spectrum of the 1-fluorocyclohexadienyl radical intermediate trapped in solid argon, J. Phys. Chem., 1982, 86, 5, 670, https://doi.org/10.1021/j100394a016 . [all data]

Sharp, Roberts, et al., 2008
Sharp, E.N.; Roberts, M.A.; Nesbitt, D.J., Rotationally resolved infrared spectroscopy of a jet-cooled phenyl radical in the gas phase, Phys. Chem. Chem. Phys., 2008, 10, 44, 6592, https://doi.org/10.1039/b813256a . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [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]

McMahon, McCarthy, et al., 2003
McMahon, R.J.; McCarthy, M.C.; Gottlieb, C.A.; Dudek, J.B.; Stanton, J.F.; Thaddeus, P., The Radio Spectrum of the Phenyl Radical, Astrophys. J., 2003, 590, 1, L61, https://doi.org/10.1086/376587 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References