Syn-C6H5C(O)O2 - The NIST WebBook

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syn-C6H5C(O)O2
  • Formula: C7H5O3
  • Molecular weight: 137.1128
  • Information on this page:
    • Vibrational and/or electronic energy levels
    • References
    • Notes
  • Options:
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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
C=O stretch 1830 ± 2 vs gas IR Golec, Chen, et al., 2011
C=O stretch 1820.9 vs Ar IR Mardyukov and Sander
C=C stretch 1603.0 w m Ar IR Mardyukov and Sander
CH deformation 1455.8 w Ar IR Mardyukov and Sander
Mixed 1226 ± 2 m s gas IR Golec, Chen, et al., 2011
Mixed 1228.4 m Ar IR Mardyukov and Sander
CH deformation 1187 ± 4 w m gas IR Golec, Chen, et al., 2011
CH deformation 1183.8 w Ar IR Mardyukov and Sander
O-O stretch 1108 ± 4 w m gas IR Golec, Chen, et al., 2011
O-O stretch 1107.0 w Ar IR Mardyukov and Sander
Ring stretch 1002.3 w Ar IR Mardyukov and Sander
C-O stretch 935.8 s Ar IR Mardyukov and Sander
CH wag 783.6 w Ar IR Mardyukov and Sander
C-O stretch 768.2 w m Ar IR Mardyukov and Sander
CH wag 692.5 m Ar IR Mardyukov and Sander
Skel. deform. 678.6 w m Ar IR Mardyukov and Sander
Skel. OPLA 668.5 w Ar IR Mardyukov and Sander

Notes

wWeak
mMedium
sStrong
vsVery strong

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.

Golec, Chen, et al., 2011 Golec, B.; Chen, J.-D.; Lee, Y.-P., Infrared absorption of gaseous benzoylperoxy radical C6H5C(O)OO recorded with a step-scan Fourier-transform spectrometer, J. Chem. Phys., 2011, 1335, 22, 224302, https://doi.org/10.1063/1.3664304 . [all data]

Mardyukov and Sander Mardyukov, A.; Sander, W., Eur. J. Org. Chem. 2010, 2904.. [all data]

Notes

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

  • Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
  • The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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