Diazene, dimethyl-
- Formula: C2H6N2
- Molecular weight: 58.0824
- IUPAC Standard InChIKey: JCCAVOLDXDEODY-UHFFFAOYSA-N
- CAS Registry Number: 503-28-6
- 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. - Stereoisomers:
- Other names: Azomethane; (CH3N)2; 1,2-Dimethyldiazene; Dimethyldiazene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H6N2+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.30 | PE | Frost, Lee, et al., 1976 | LLK |
8.7 ± 0.2 | EI | Prasil and Forst, 1968 | RDSH |
8.7 ± 0.1 | EI | Gowenlock, Majer, et al., 1962 | RDSH |
9.0 | PE | Rao, 1975 | Vertical value; LLK |
8.95 ± 0.05 | PE | Koenig, Balle, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH2N+ | 14.7 ± 0.3 | ? | EI | Prasil and Forst, 1968 | RDSH |
CH3+ | 11.5 ± 0.1 | ? | EI | Gowenlock, Majer, et al., 1962 | RDSH |
CH3N2+ | 9.2 | CH3 | EI | Foster and Beauchamp, 1972 | LLK |
CH3N2+ | 9.5 ± 0.3 | CH3 | EI | Prasil and Forst, 1968 | RDSH |
CH3N2+ | 9.0 ± 0.1 | CH3 | EI | Gowenlock, Majer, et al., 1962 | RDSH |
C2H4+ | 12.9 ± 0.3 | ? | EI | Prasil and Forst, 1968 | RDSH |
N2+ | 16.3 ± 0.3 | ? | EI | Prasil and Forst, 1968 | RDSH |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | P.F.DIAMOND,SHELL RESEARCH LIMITED THORNTON RESEARCH CENTRE |
NIST MS number | 18966 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: Takehiko Shimanouchi
Symmetry: C2h Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CH3 d-str | 2977 | C | ia | 2977 M dp | liq. | |||
ag | 2 | CH3 s-str | 2916 | C | ia | 2916 S p | liq. | |||
ag | 3 | NN str | 1580 | C | ia | 1580 VW p | liq. | |||
ag | 4 | CH3 d-deform | 1434 | C | ia | 1434 M | liq. | |||
ag | 5 | CH3 s-deform | 1380 | C | ia | 1380 W | liq. | |||
ag | 6 | CN str | 1176 | C | ia | 1176 VW | liq. | |||
ag | 7 | CH3 rock | 916 | C | ia | 916 M | liq. | |||
ag | 8 | CCN bend | 589 | C | ia | 589 VS p | liq. | |||
au | 9 | CH3 d-str | 2966 | D | 2966 W sh | sln. | ia | |||
au | 10 | CH3 d-deform | 1438 | C | 1438 | gas | ia | |||
au | 11 | CH3 rock | 1109 | C | 1109 W | gas | ia | |||
au | 12 | CCN bend | 312 | D | 312 S | sln. | ia | |||
au | 13 | CH3 torsion | 222 | D | 222 VW | gas | ia | |||
bg | 14 | CH3 d-str | 2982 | D | ia | 2982 VS | sln. | |||
bg | 15 | CH3 d-deform | 1447 | D | ia | 1447 S | sln. | |||
bg | 16 | CH3 rock | 1010 | D | ia | 1010 VW | liq. | |||
bg | 17 | CH3 torsion | 223 | D | ia | 223 W | sln. | |||
bu | 18 | CH3 d-str | 2982 | C | 2982 VS | gas | ia | |||
bu | 19 | CH3 s-str | 2926 | C | 2926 VS | gas | ia | |||
bu | 20 | CH3 d-deform | 1445 | C | 1445 S | gas | ia | |||
bu | 21 | CH3 s-deform | 1393 | C | 1393 M | gas | ia | |||
bu | 22 | CN str | 1300 | C | 1300 VW | gas | ia | |||
bu | 23 | CH3 rock | 1009 | C | 1009 W | gas | ia | |||
bu | 24 | CCN bend | 352 | C | 352 M | gas | ia | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
sh | Shoulder |
p | Polarized |
dp | Depolarized |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.
Frost, Lee, et al., 1976
Frost, D.C.; Lee, S.T.; McDowell, C.A.; Westwood, N.P.C.,
The photoelectron spectra of diazene, diazene-d2, trans-methyldiazene,
J. Chem. Phys., 1976, 64, 4719. [all data]
Prasil and Forst, 1968
Prasil, Z.; Forst, W.,
Mass spectrometry of azomethane,
J. Am. Chem. Soc., 1968, 90, 3344. [all data]
Gowenlock, Majer, et al., 1962
Gowenlock, B.G.; Majer, J.R.; Snelling, D.R.,
Bond dissociation energies in some azo compounds,
J. Chem. Soc. Faraday Trans., 1962, 58, 670. [all data]
Rao, 1975
Rao, C.N.R.,
Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules,
Indian J. Chem., 1975, 13, 950. [all data]
Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
J. Am. Chem. Soc., 1975, 97, 662. [all data]
Foster and Beauchamp, 1972
Foster, M.S.; Beauchamp, J.L.,
Gas-phase ion chemistry of azomethane by ion cyclotron resonance spectroscopy,
J. Am. Chem. Soc., 1972, 94, 2425. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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