II.A.3. (XII.A.1.) |
Listing of experimental geometry data for N2O4 (Dinitrogen tetroxide)
Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A | B | C |
---|---|---|
0.21792 | 0.12233 | 0.07834 |
Calculated rotational constants for N2O4 (Dinitrogen tetroxide).
Point Group D2h
Internal coordinates
(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rNN | 1.782 | 1 | 2 | 1972McC/Gun:4541 | |||
rNO | 1.190 | 1 | 3 | 1972McC/Gun:4541 | |||
aONO | 135.4 | 3 | 1 | 4 | 1972McC/Gun:4541 | ||
aNNO | 112.3 | 1 | 2 | 5 | 1972McC/Gun:4541 | derived from aONO |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type | Count |
---|---|
N-N | 1 |
N=O | 4 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
N1 | 0.0000 | 0.0000 | 0.0000 |
N2 | -1.7820 | 0.0000 | 0.0000 |
O3 | 0.4516 | 1.1010 | 0.0000 |
O4 | 0.4516 | -1.1010 | 0.0000 |
O5 | -2.2336 | 1.1010 | 0.0000 |
O6 | -2.2336 | -1.1010 | 0.0000 |
Atom - Atom Distances (Å)
N1 | N2 | O3 | O4 | O5 | O6 | |
---|---|---|---|---|---|---|
N1 | 1.7820 | 1.1900 | 1.1900 | 2.4902 | 2.4902 | |
N2 | 1.7820 | 2.4902 | 2.4902 | 1.1900 | 1.1900 | |
O3 | 1.1900 | 2.4902 | 2.2020 | 2.6851 | 3.4725 | |
O4 | 1.1900 | 2.4902 | 2.2020 | 3.4725 | 2.6851 | |
O5 | 2.4902 | 1.1900 | 2.6851 | 3.4725 | 2.2020 | |
O6 | 2.4902 | 1.1900 | 3.4725 | 2.6851 | 2.2020 |
Calculated geometries for N2O4 (Dinitrogen tetroxide).
References
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By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib | reference | DOI |
---|---|---|
1972McC/Gun:4541 | McClelland, B. W., Gunderson, G., Hedberg, K., Reinvestigation of the Structure of Dinitrogen Tetroxide, N2O4, by Gaseous Electron Diffraction, J. of Chem. Phys., 56 4541-4545. | 10.1063/1.1677901 |
1994Dom/And:6993 | Domenech, J.L.; Andrews, A.M.; Belov, S.P.; Fraser, G.T.; Lafferty, W.J. "Infrared diode-laser spectra of the (nu)9 and (nu)11 N-O stretching bands of N2O4." Journal of Chemical Physics. 100, 6993-6999 (1994) | 10.1063/1.466900 |
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