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Phenoxy radical


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:   E


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

Tx = 43100 gas E-X Kajii, Obi, et al., 1987
Berho and Lesclaux, 1997
Platz, Nielsen, et al., 1998
To = 41800 Ar E-X Radziszewski, Gil, et al., 2001

State:   D


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

Tx gas D-X 270 300 Kajii, Obi, et al., 1987
Berho and Lesclaux, 1997
Platz, Nielsen, et al., 1998
To = 33900 Ar D-X Radziszewski, Gil, et al., 2001

State:   C


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

To = 25320 gas C-X 375 410 Porter and Wright, 1955
Porter and Ward, 1964
Tonokura, Ogura, et al., 2004
To = 25175 ± 10 Ar C-X 351 397 Pullin and Andrews, 1982
Kesper, Diehl, et al., 1991
Spanget-Larsen, Gil, et al., 2001
Radziszewski, Gil, et al., 2001


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

1462 ± 20 Ar AB Pullin and Andrews, 1982
1140 ± 20 Ar AB Pullin and Andrews, 1982
920 ± 20 Ar AB Pullin and Andrews, 1982

State:   B


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

To = 16360 gas B-X 559 612 Porter and Ward, 1964
Ward, 1968
To = 15930 ± 10 Ar B-X 573 629 Pullin and Andrews, 1982
Kesper, Diehl, et al., 1991
Spanget-Larsen, Gil, et al., 2001
Radziszewski, Gil, et al., 2001


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

500 T gas AB Ward, 1968
504 ± 10 Ar AB Pullin and Andrews, 1982

State:   A


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

To = 7681 gas A-X 1140 1310 Cheng, Witek, et al., 2008
To = 8900 T Ar A-X Radziszewski, Gil, et al., 2001


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

a2 12 947 ± 2 gas CR Cheng, Witek, et al., 2008
13 793 ± 6 gas CR Cheng, Witek, et al., 2008
14 417 ± 2 gas CR Cheng, Witek, et al., 2008
b1 15 964 ± 5 gas CR Cheng, Witek, et al., 2008
16 866 ± 3 gas CR Cheng, Witek, et al., 2008
17 723 ± 2 gas CR Cheng, Witek, et al., 2008
18 680 ± 2 gas CR Cheng, Witek, et al., 2008
19 499 ± 5 gas CR Cheng, Witek, et al., 2008

State:   X


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

a1 1 CH stretch 3090 w Ar IR Spanget-Larsen, Gil, et al., 2001
2 CH stretch 3065 w Ar IR Spanget-Larsen, Gil, et al., 2001
3 CH stretch 3018 w Ar IR Spanget-Larsen, Gil, et al., 2001
4 CC stretch 1550 m s Ar IR Spanget-Larsen, Gil, et al., 2001
5 CO stretch 1490 ± 25 T gas PE Gunion, Gilles, et al., 1992
5 CO stretch 1481 m Ar IR Spanget-Larsen, Gil, et al., 2001
6 Mixed 1397 w Ar IR Spanget-Larsen, Gil, et al., 2001
7 CH bend 1167 w Ar IR Spanget-Larsen, Gil, et al., 2001
8 Mixed 1038 w Ar IR Spanget-Larsen, Gil, et al., 2001
9 CCC bend 977 w Ar IR Spanget-Larsen, Gil, et al., 2001
10 Mixed 813 w Ar IR Spanget-Larsen, Gil, et al., 2001
11 CCC bend 515 ± 15 gas PE Gunion, Gilles, et al., 1992
11 CCC bend 520 w Ar IR Spanget-Larsen, Gil, et al., 2001
b1 15 HCCH torsion 1016 w Ar IR Spanget-Larsen, Gil, et al., 2001
16 Mixed 898 w m Ar IR Spanget-Larsen, Gil, et al., 2001
17 Mixed 784 s Ar IR Spanget-Larsen, Gil, et al., 2001
18 Mixed 635 vs Ar IR Spanget-Larsen, Gil, et al., 2001
19 Mixed 472 w Ar IR Spanget-Larsen, Gil, et al., 2001
b2 21 CH stretch 3074 w m Ar IR Spanget-Larsen, Gil, et al., 2001
22 CH stretch 3054 w Ar IR Spanget-Larsen, Gil, et al., 2001
23 Mixed 1515 m Ar IR Spanget-Larsen, Gil, et al., 2001
24 Mixed 1441 w Ar IR Spanget-Larsen, Gil, et al., 2001
25 Mixed 1318 w m Ar IR Spanget-Larsen, Gil, et al., 2001
26 Mixed 1266 w m Ar IR Spanget-Larsen, Gil, et al., 2001
27 Mixed 1140 w Ar IR Spanget-Larsen, Gil, et al., 2001
28 Mixed 1072 m Ar IR Spanget-Larsen, Gil, et al., 2001
29 CCC bend 616 w Ar IR Spanget-Larsen, Gil, et al., 2001
30 CO bend 446 w m Ar IR Spanget-Larsen, Gil, et al., 2001

Additional references: Jacox, 1994, page 443; Jacox, 1998, page 372; Jacox, 2003, page 407

Notes

wWeak
mMedium
sStrong
vsVery strong
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, 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.

Kajii, Obi, et al., 1987
Kajii, Y.; Obi, K.; Nakashima, N.; Yoshihara, K., ArF laser flash photolysis of phenol and anisole, J. Chem. Phys., 1987, 87, 9, 5059, https://doi.org/10.1063/1.453673 . [all data]

Berho and Lesclaux, 1997
Berho, F.; Lesclaux, R., The phenoxy radical: UV spectrum and kinetics of gas-phase reactions with itself and with oxygen, Chem. Phys. Lett., 1997, 279, 5-6, 289, https://doi.org/10.1016/S0009-2614(97)01038-5 . [all data]

Platz, Nielsen, et al., 1998
Platz, J.; Nielsen, O.J.; Wallington, T.J.; Ball, J.C.; Hurley, M.D.; Straccia, A.M.; Schneider, W.F.; Sehested, J., Atmospheric Chemistry of the Phenoxy Radical, C, J. Phys. Chem. A, 1998, 102, 41, 7964, https://doi.org/10.1021/jp982221l . [all data]

Radziszewski, Gil, et al., 2001
Radziszewski, J.G.; Gil, M.; Gorski, A.; Spanget-Larsen, J.; Waluk, J.; Mroz, B.J., Electronic states of the phenoxyl radical, J. Chem. Phys., 2001, 115, 21, 9733, https://doi.org/10.1063/1.1415465 . [all data]

Porter and Wright, 1955
Porter, G.; Wright, F.J., Primary photochemical processes in aromatic molecules. Part 3. Absorption spectra of benzyl, anilino, phenoxy and related free radicals, Trans. Faraday Soc., 1955, 51, 1469, https://doi.org/10.1039/tf9555101469 . [all data]

Porter and Ward, 1964
Porter, G.; Ward, B., J. Chim. Phys., 1964, 61, 1517. [all data]

Tonokura, Ogura, et al., 2004
Tonokura, K.; Ogura, T.; Koshi, M., Near-UV Absorption Spectrum of the Phenoxyl Radical and Kinetics of Its Reaction with CH, J. Phys. Chem. A, 2004, 108, 39, 7801, https://doi.org/10.1021/jp049664b . [all data]

Pullin and Andrews, 1982
Pullin, D.; Andrews, L., The absorption spectra of the phenoxyl radical in solid argon, J. Mol. Struct., 1982, 95, 181, https://doi.org/10.1016/0022-2860(82)90143-0 . [all data]

Kesper, Diehl, et al., 1991
Kesper, K.; Diehl, F.; Simon, J.G.G.; Specht, H.; Schweig, A., Resonant two-photon ionization of phenol in methylene chloride doped solid argon using 248 nm KrF laser and 254 nm Hg lamp radiation, a comparative study. The UV/VIS absorption spectrum of phenol radical cation, Chem. Phys., 1991, 153, 3, 511, https://doi.org/10.1016/0301-0104(91)80064-O . [all data]

Spanget-Larsen, Gil, et al., 2001
Spanget-Larsen, J.; Gil, M.; Gorski, A.; Blake, D.M.; Waluk, J.; Radziszewski, J.G., Vibrations of the Phenoxyl Radical, J. Am. Chem. Soc., 2001, 123, 45, 11253, https://doi.org/10.1021/ja0113596 . [all data]

Ward, 1968
Ward, B., Spectrochim. Acta, 1968, 24A, 813. [all data]

Cheng, Witek, et al., 2008
Cheng, C.-W.; Witek, H.; Lee, Y.-P., Rovibronic bands of the A [sup 2]B[sub 2]<--X [sup 2]B[sub 1] transition of C[sub 6]H[sub 5]O and C[sub 6]D[sub 5]O detected with cavity ringdown absorption near 1.2 «mu»m, J. Chem. Phys., 2008, 129, 15, 154307, https://doi.org/10.1063/1.2992077 . [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]

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]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References