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

formaldehyde oxime


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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

CH2NO- + Hydrogen cation = formaldehyde oxime

By formula: CH2NO- + H+ = CH3NO

Quantity Value Units Method Reference Comment
Deltar<1557.3kJ/molAcidDiDomenico and Franklin, 1972gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol

Gas phase ion energetics data

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

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to CH3NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.11eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.11PEDognon, Pouchan, et al., 1984LBLHLM
10.1PEFrost, Lau, et al., 1982LBLHLM
10.61PEDognon, Pouchan, et al., 1984Vertical value; LBLHLM
10.59 ± 0.02PEFrost, Lau, et al., 1982Vertical value; LBLHLM
10.62PEDargelos and Sandorfy, 1977Vertical value; LLK

De-protonation reactions

CH2NO- + Hydrogen cation = formaldehyde oxime

By formula: CH2NO- + H+ = CH3NO

Quantity Value Units Method Reference Comment
Deltar<1557.3kJ/molAcidDiDomenico and Franklin, 1972gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol; B

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 3650.29 vs gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, 1988
2 CH2 stretch 3109.72 w gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, 1988
3 CH2 stretch 2973.17 w m gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, 1988
4 C=N stretch 1639.48 w m gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Bannai and Duxbury, 1994
5 CH2 scissors 1410.48 m s gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Bannai and Duxbury, 1994
6 OH bend 1318.98 vs gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Bannai and Duxbury, 1994
7 CH2 rock 1166 m gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
8 NO stretch 892.58 s gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, Percival, et al., 1988
Bannai and Duxbury, 1994
9 CNO deform. 530 w gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
a 10 CH2 OPLA 952.61 s gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, Percival, et al., 1988
11 CH2 torsion 774.1 m gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970
Duxbury, Percival, et al., 1988
12 OH torsion 400 T gas IR Califano and Luttke, 1956
Azman, Hadzi, et al., 1970

Additional references: Jacox, 1994, page 320; Jacox, 1998, page 314; Levine, 1962; Levine, 1963; Kaushik and Takagi, 1978; Klesing and Sutter, 1990

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, Notes

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

DiDomenico and Franklin, 1972
DiDomenico, A.; Franklin, J.L., Negative ions in the mass spectrum of nitromethane, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 171. [all data]

Dognon, Pouchan, et al., 1984
Dognon, J.P.; Pouchan, C.; Dargelos, A.; Flament, J.P., Ab initio CI study and vibronic analysis of the photoelectron spectra of formaldoxime, Chem. Phys. Lett., 1984, 109, 492. [all data]

Frost, Lau, et al., 1982
Frost, D.C.; Lau, W.M.; McDowell, C.A.; Westwood, N.P.C., A study by He I photoelectron spectroscopy of monomeric nitrosomethane, the cis and trans dimers, and formaldoxime, J. Phys. Chem., 1982, 86, 3577. [all data]

Dargelos and Sandorfy, 1977
Dargelos, A.; Sandorfy, C., The photoelectron and far-ultraviolet absorption spectra of simple oximes, J. Chem. Phys., 1977, 67, 3011. [all data]

Califano and Luttke, 1956
Califano, S.; Luttke, W., Infrarotuntersuchungen an Oximen II., Z. Phys. Chem., 1956, 6, 1_2, 83, https://doi.org/10.1524/zpch.1956.6.1_2.083 . [all data]

Azman, Hadzi, et al., 1970
Azman, A.; Hadzi, D.; Kidric, J.; Orel, B.; Trampuz, C., Spectrochim. Acta, 1970, 27A, 2499. [all data]

Duxbury, 1988
Duxbury, G., High-resolution infrared spectrum of formaldoxime (CH2NOH) in the 3-«mu»m and OH overtone regions, J. Mol. Spectrosc., 1988, 132, 2, 393, https://doi.org/10.1016/0022-2852(88)90334-7 . [all data]

Bannai and Duxbury, 1994
Bannai, R.A.; Duxbury, G., Fourier-transform infrared spectra of formaldoxime: «nu»_4, «nu»_5, «nu»_6, and «nu»_8 bands, J. Opt. Soc. Am. B, 1994, 11, 1, 170, https://doi.org/10.1364/JOSAB.11.000170 . [all data]

Duxbury, Percival, et al., 1988
Duxbury, G.; Percival, R.M.; Devoy, D.; Mahmoud, M.R.M., Fourier transform and diode laser spectroscopy of the 10-«mu»m bands of formaldoxime (CH2NOH), J. Mol. Spectrosc., 1988, 132, 2, 380, https://doi.org/10.1016/0022-2852(88)90333-5 . [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]

Levine, 1962
Levine, I.N., The microwave spectrum of formaldoxime, J. Mol. Spectrosc., 1962, 8, 1-6, 276, https://doi.org/10.1016/0022-2852(62)90028-0 . [all data]

Levine, 1963
Levine, I.N., Structure of Formaldoxime, J. Chem. Phys., 1963, 38, 10, 2326, https://doi.org/10.1063/1.1733504 . [all data]

Kaushik and Takagi, 1978
Kaushik, V.K.; Takagi, K., Centrifugal Distortion Effects in the Microwave Rotational Spectrum of Formaldoxime, J. Phys. Soc. Japan, 1978, 45, 6, 1975, https://doi.org/10.1143/JPSJ.45.1975 . [all data]

Klesing and Sutter, 1990
Klesing, A.; Sutter, D.H., Z. Naturforsch., 1990, 45A, 817. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References