C6H7+

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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 40800 ± 1700 gas Freiser and Beauchamp, 1976
Freiser and Beauchamp, 1977

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Tx = 30300 ± 900 gas Freiser and Beauchamp, 1976
Freiser and Beauchamp, 1977
Tx = 31619 Ne A-X 316 325 Garkusha, Fulara, et al., 2010

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
3035 A gas PF Douberly, Ricks, et al., 2008
3006 A gas PF Douberly, Ricks, et al., 2008
2793 A gas PF Solca and Dopfer, 2002
Douberly, Ricks, et al., 2008
2792 gas PF Solca and Dopfer, 2002
a1 2 CH stretch 3078 A gas PF Douberly, Ricks, et al., 2008
2 CH stretch 3081 gas PF Solca and Dopfer, 2002
4 CH2 s-stretch 2820 vs A gas PF Douberly, Ricks, et al., 2008
4 CH2 s-stretch 2813.1 w m p-H2 IR Bahou, Wu, et al., 2012
5 Skel. stretch 1581 w gas MPD Lorenz, Solca, et al., 2007
5 Skel. stretch 1607 s A gas PF Douberly, Ricks, et al., 2008
5 Skel. stretch 1603.4 w m p-H2 IR Bahou, Wu, et al., 2012
6 1445.2 w p-H2 IR Bahou, Wu, et al., 2012
7 CH2 scissor 1228 gas MPD Jones, Boissel, et al., 2003
7 CH2 scissor 1239 s A gas PF Douberly, Ricks, et al., 2008
7 CH2 scissor 1225.5 s p-H2 IR Bahou, Wu, et al., 2012
8 1198 w m A gas PF Douberly, Ricks, et al., 2008
8 1187.6 w m p-H2 IR Bahou, Wu, et al., 2012
11 903 A gas PF Douberly, Ricks, et al., 2008
11 893.7 w m p-H2 IR Bahou, Wu, et al., 2012
b1 17 2810 A gas PF Solca and Dopfer, 2002
Douberly, Ricks, et al., 2008
17 2809 gas PF Solca and Dopfer, 2002
17 2798.5 w m p-H2 IR Bahou, Wu, et al., 2012
18 1058 A gas PF Douberly, Ricks, et al., 2008
18 1047.5 w T p-H2 IR Bahou, Wu, et al., 2012
20 831 A gas PF Douberly, Ricks, et al., 2008
20 819.3 w p-H2 IR Bahou, Wu, et al., 2012
21 640.8 w m p-H2 IR Bahou, Wu, et al., 2012
b2 24 CH stretch 3107 A gas PF Solca and Dopfer, 2002
Douberly, Ricks, et al., 2008
24 CH stretch 3109 gas PF Solca and Dopfer, 2002
27 Skel. stretch 1433 gas MPD Jones, Boissel, et al., 2003
27 Skel. stretch 1456 vs A gas PF Douberly, Ricks, et al., 2008
27 Skel. stretch 1451.9 vs p-H2 IR Bahou, Wu, et al., 2012
29 1334 A gas PF Douberly, Ricks, et al., 2008
29 1328.1 w T p-H2 IR Bahou, Wu, et al., 2012
30 1184.8 w p-H2 IR Bahou, Wu, et al., 2012
31 1075.5 w T p-H2 IR Bahou, Wu, et al., 2012
32 964 w m A gas PF Douberly, Ricks, et al., 2008
32 987.6 w p-H2 IR Bahou, Wu, et al., 2012
33 576.8 w p-H2 IR Bahou, Wu, et al., 2012

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
A0~1 cm-1 uncertainty

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.

Freiser and Beauchamp, 1976
Freiser, B.S.; Beauchamp, J.L., Photochemistry of organic ions in the gas phase. Comparison of the gas phase photodissociation and solution absorption spectra of benzoyl cation, protonated benzene, and protonated mesitylene, J. Am. Chem. Soc., 1976, 98, 11, 3136, https://doi.org/10.1021/ja00427a012 . [all data]

Freiser and Beauchamp, 1977
Freiser, B.S.; Beauchamp, J.L., Acid-base properties of molecules in excited electronic states utilizing ion cyclotron resonance spectroscopy, J. Am. Chem. Soc., 1977, 99, 10, 3214, https://doi.org/10.1021/ja00452a003 . [all data]

Garkusha, Fulara, et al., 2010
Garkusha, I.; Fulara, J.; Nagy, A.; Maier, J.P., Electronic Transitions of Protonated Benzene and Fulvene, and of C, J. Am. Chem. Soc., 2010, 132, 42, 14979, https://doi.org/10.1021/ja106470x . [all data]

Douberly, Ricks, et al., 2008
Douberly, G.E.; Ricks, A.M.; Schleyer, P.v.R.; Duncan, M.A., Infrared Spectroscopy of Gas Phase Benzenium Ions: Protonated Benzene and Protonated Toluene, from 750 to 3400 cm, J. Phys. Chem. A, 2008, 112, 22, 4869, https://doi.org/10.1021/jp802020n . [all data]

Solca and Dopfer, 2002
Solca, N.; Dopfer, O., Protonated Benzene: IR Spectrum and Structure of C6H7, Angew. Chem. Int. Ed., 2002, 41, 19, 3628, https://doi.org/10.1002/1521-3773(20021004)41:19<3628::AID-ANIE3628>3.0.CO;2-1 . [all data]

Bahou, Wu, et al., 2012
Bahou, M.; Wu, Y.-J.; Lee, Y.-P., A new method for investigating infrared spectra of protonated benzene (C6H7+) and cyclohexadienyl radical (c-C6H7) using para-hydrogen, J. Chem. Phys., 2012, 136, 15, 154304, https://doi.org/10.1063/1.3703502 . [all data]

Lorenz, Solca, et al., 2007
Lorenz, U.J.; Solca, N.; Lemaire, J.; Maitre, P.; Dopfer, O., Infrared Spectra of Isolated Protonated Polycyclic Aromatic Hydrocarbons: Protonated Naphthalene, Angew. Chem. Int. Ed., 2007, 46, 35, 6714, https://doi.org/10.1002/anie.200701838 . [all data]

Jones, Boissel, et al., 2003
Jones, W.; Boissel, P.; Chiavarino, B.; Crestoni, M.E.; Fornarini, S.; Lemaire, J.; Maitre, P., Infrared Fingerprint of Protonated Benzene in the Gas Phase, Angew. Chem. Int. Ed., 2003, 42, 18, 2057, https://doi.org/10.1002/anie.200250708 . [all data]

Notes

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