formaldehyde oxime
- Formula: CH3NO
- Molecular weight: 45.0406
- IUPAC Standard InChI: InChI=1S/CH3NO/c1-2-3/h3H,1H2
- IUPAC Standard InChIKey: SQDFHQJTAWCFIB-UHFFFAOYSA-N
- CAS Registry Number: 75-17-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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) | 10.11 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.11 | PE | Dognon, Pouchan, et al., 1984 | LBLHLM |
| 10.1 | PE | Frost, Lau, et al., 1982 | LBLHLM |
| 10.61 | PE | Dognon, Pouchan, et al., 1984 | Vertical value; LBLHLM |
| 10.59 ± 0.02 | PE | Frost, Lau, et al., 1982 | Vertical value; LBLHLM |
| 10.62 | PE | Dargelos and Sandorfy, 1977 | Vertical value; LLK |
De-protonation reactions
CH2NO- + =
By formula: CH2NO- + H+ = CH3NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | <1557.3 | kJ/mol | Acid | DiDomenico and Franklin, 1972 | gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol; B |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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