Syn-C6H5C(O)O2 - The NIST WebBook

syn-C6H5C(O)O2

• Formula: C7H5O3
• Molecular weight: 137.1128
• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
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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

w	Weak
m	Medium
s	Strong
vs	Very 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

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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