formaldehyde oxime
- Formula: CH3NO
- Molecular weight: 45.0406
- 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, 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) | 10.11 | 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° | <372.20 | kcal/mol | Acid | DiDomenico and Franklin, 1972 | gas phase; From MeNO2. G3MP2B3 calculations indicate a HOF(A-) of +3 kcal/mol; B |
Vibrational and/or electronic energy levels
Go To: Top, 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
Additional references: Jacox, 1994, page 320; Jacox, 1998, page 314; Levine, 1962; Levine, 1963; Kaushik and Takagi, 1978; Klesing and Sutter, 1990
Notes
w | Weak |
m | Medium |
s | Strong |
vs | Very strong |
T | Tentative assignment or approximate value |
References
Go To: Top, 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.
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]
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-μm 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: ν_4, ν_5, ν_6, and ν_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-μm 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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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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