Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Methaneperoxoic acid


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References, Notes

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

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CHO3- + Hydrogen cation = Methaneperoxoic acid

By formula: CHO3- + H+ = CH2O3

Quantity Value Units Method Reference Comment
Deltar1467. ± 14.kJ/molG+TSVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1551. ± 9.2kJ/molG+TSBowie, DePuy, et al., 1986gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m
Quantity Value Units Method Reference Comment
Deltar1439. ± 14.kJ/molIMRBVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1523. ± 8.4kJ/molIMRBBowie, DePuy, et al., 1986gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, NIST Free Links, References, Notes

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

Data compiled by: John E. Bartmess

De-protonation reactions

CHO3- + Hydrogen cation = Methaneperoxoic acid

By formula: CHO3- + H+ = CH2O3

Quantity Value Units Method Reference Comment
Deltar1467. ± 14.kJ/molG+TSVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1551. ± 9.2kJ/molG+TSBowie, DePuy, et al., 1986gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m
Quantity Value Units Method Reference Comment
Deltar1439. ± 14.kJ/molIMRBVillano, Eyet, et al., 2010gas phase; Between HOAc, tBuSH. For less-stable (+3.3 kcal) non-H-bonded) isomer of acid
Deltar<1523. ± 8.4kJ/molIMRBBowie, DePuy, et al., 1986gas phase; More acidic than acetone. Formed from DMF + HOO-; oxidises NO to NO2. Computations indicate HOF(A-) ca. -77, dHacid ca. 349 kcal/m

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, References, Notes

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

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

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Villano, Eyet, et al., 2010
Villano, S.M.; Eyet, N.; Wren, S.W.; Ellison, G.B.; Bierbaum, V.M.; Lineberger, W.C., Photoelectron Spectroscopy and Thermochemistry of the Peroxyformate Anion, J. Phys. Chem. A, 2010, 114, 1, 191-200, https://doi.org/10.1021/jp907569w . [all data]

Bowie, DePuy, et al., 1986
Bowie, J.H.; DePuy, C.H.; Sullivan, S.A.; Berbaum, V.M., Gas phase reactions of the hydroperoxide and peroxyformate anions, Can. J. Chem., 1986, 64, 1046. [all data]

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 «nu»6 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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, References