Methaneperoxoic acid

Formula: CH₂O₃
Molecular weight: 62.0248
IUPAC Standard InChI: InChI=1S/CH2O3/c2-1-4-3/h1,3H
IUPAC Standard InChIKey: SCKXCAADGDQQCS-UHFFFAOYSA-N
CAS Registry Number: 107-32-4
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: HC(O)OOH
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Reaction thermochemistry data
- Gas phase ion energetics data
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to calorie-based units

Vibrational and/or electronic energy levels

State: X

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


a'	1	OH stretch	3340.7	w	gas	IR	Giguere and Olmos, 1952 Maker, Niki, et al., 1977
	1	OH stretch	3334.0	m	Ar	IR	Tyblewski, Dommen, et al., 1991
	2	CH stretch	2977	w T	gas	IR	Giguere and Olmos, 1952
	2	CH stretch	2964.0	w	Ar	IR	Tyblewski, Dommen, et al., 1991
	3	C=O stretch	1744.7	vs	gas	IR	Giguere and Olmos, 1952 Maker, Niki, et al., 1977
	3	C=O stretch	1737.3	s	Ar	IR	Tyblewski, Dommen, et al., 1991
	4	OH bend	1442	s T	gas	IR	Giguere and Olmos, 1952
	4	OH bend	1437.4	s	Ar	IR	Tyblewski, Dommen, et al., 1991
	5	Mixed	1340	w T	gas	IR	Giguere and Olmos, 1952
	5	Mixed	1334.6	m	Ar	IR	Tyblewski, Dommen, et al., 1991
	6	C-O stretch	1124.98	vs	gas	IR	Giguere and Olmos, 1952 Maker, Niki, et al., 1977 Bauder, Dommen, et al., 1990
	6	C-O stretch	1113.9	s	Ar	IR	Tyblewski, Dommen, et al., 1991
	7	Mixed	859	w	gas	IR	Giguere and Olmos, 1952
	7	Mixed	857.0	m	Ar	IR	Tyblewski, Dommen, et al., 1991
	8	O-O stretch	810	w	gas	IR	Giguere and Olmos, 1952
	8	O-O stretch	810.6	m	Ar	IR	Tyblewski, Dommen, et al., 1991
	9	Skel. deform.	336.3	m	Ar	IR	Tyblewski, Dommen, et al., 1991
a	11	Torsion	441.3	s	Ar	IR	Tyblewski, Dommen, et al., 1991
	12	Torsion	331.6	m	Ar	IR	Tyblewski, Dommen, et al., 1991

Additional references: Jacox, 1994, page 336; Oldani, Ha, et al., 1983

Notes

Weak

Medium

Strong

Very strong

Tentative assignment or approximate value

References

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

Giguere and Olmos, 1952
Giguere, P.A.; Olmos, A.W., A SPECTROSCOPIC STUDY OF HYDROGEN BONDING IN PERFORMIC AND PERACETIC ACIDS, Can. J. Chem., 1952, 30, 11, 821, https://doi.org/10.1139/v52-099 . [all data]

Maker, Niki, et al., 1977
Maker, P.D.; Niki, H.; Savage, C.M.; Breitenbach, L.P., Fourier transform infrared spectrometric determination of gaseous performic acid, Anal. Chem., 1977, 49, 9, 1346, https://doi.org/10.1021/ac50017a016 . [all data]

Tyblewski, Dommen, et al., 1991
Tyblewski, M.; Dommen, J.; Ha, T.-K.; Bauder, A., Spectrochim. Acta, 1991, 47A, 397. [all data]

Bauder, Dommen, et al., 1990
Bauder, A.; Dommen, J.; Hollenstein, H.; Luckhaus, D.; Quack, M., The ν6 fundamental band of peroxyformic acid near 1125 cm-1, J. Mol. Spectrosc., 1990, 143, 2, 268, https://doi.org/10.1016/0022-2852(91)90091-N . [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]

Oldani, Ha, et al., 1983
Oldani, M.; Ha, T.-K.; Bauder, A., Microwave spectrum, dipole moment, and substitution structure of peroxyformic acid, J. Am. Chem. Soc., 1983, 105, 3, 360, https://doi.org/10.1021/ja00341a011 . [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.
Customer support for NIST Standard Reference Data products.