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Benzyl cation


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:   X


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

a1 11 993 ± 2 gas TPE Eiden, Lu, et al., 1996
12 820 ± 2 gas TPE Eiden, Lu, et al., 1996
13 Ring deform. 525 ± 2 gas PE TPE Houle and Beauchamp, 1978
Eiden, Weinhold, et al., 1991
Eiden, Lu, et al., 1996
a2 16 627 T gas TPE Eiden, Lu, et al., 1996
17 316 H gas TPE Eiden, Lu, et al., 1996
b1 23 400 H gas TPE Eiden, Lu, et al., 1996
24 163 H gas TPE Eiden, Lu, et al., 1996
b2 28 1547 ± 2 gas TPE Eiden, Lu, et al., 1996
32 1183 T gas TPE Eiden, Lu, et al., 1996
33 1115 T gas TPE Eiden, Lu, et al., 1996
34 973 ± 2 gas TPE Eiden, Lu, et al., 1996
35 Ring deform. 598 ± 2 gas TPE Eiden, Weinhold, et al., 1991
Eiden, Lu, et al., 1996
b1 36 353 ± 2 gas TPE Eiden, Lu, et al., 1996

Additional references: Jacox, 1994, page 392; Jacox, 1998, page 349

Notes

H(1/2)(2nu)
TTentative assignment or approximate value

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Eiden, Lu, et al., 1996
Eiden, G.C.; Lu, K.-T.; Badenhoop, J.; Weinhold, F.; Weisshaar, J.C., Threshold photoionization spectra of benzyl radical: Cation vibrational states and ab initio calculations, J. Chem. Phys., 1996, 104, 22, 8886, https://doi.org/10.1063/1.471624 . [all data]

Houle and Beauchamp, 1978
Houle, F.A.; Beauchamp, J.L., Detection and investigation of allyl and benzyl radicals by photoelectron spectroscopy, J. Am. Chem. Soc., 1978, 100, 3290. [all data]

Eiden, Weinhold, et al., 1991
Eiden, G.C.; Weinhold, F.; Weisshar, J.C., Photoelectron spectroscopy of free radicals with cm-1 resolution: The benzyl cation, J. Chem. Phys., 1991, 95, 8665. [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]


Notes

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