The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods
Vogt N, Vishnevskiy Y, Ivanov A, Vogt J, Vilkov L (2008)
Russian Journal of Physical Chemistry A 82(13): 2286-2292.
Zeitschriftenaufsatz | Englisch
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Autor*in
Vogt, Natalja;
Vishnevskiy, Yuri;
Ivanov, Arkadii;
Vogt, Jürgen;
Vilkov, Lev
Abstract / Bemerkung
The molecular structure of N-methylsuccinimide was studied by the GED method at a nozzle temperature of 69–73°C. Anharmonic vibrational corrections to thermal-average r a bond lengths, Δ(r a − r e), were calculated using the quadratic and cubic force constants from B3LYP/6-31G(df, p) calculations. The molecular skeleton was found to be planar within measurement errors. Some structural effects were likely caused by the conjugation of the N atom with two C=O bonds. The equilibrium geometric parameters derived from the experimental data and those from MP2/cc-pVTZ(seg-opt) calculations were in close agreement.
Erscheinungsjahr
2008
Zeitschriftentitel
Russian Journal of Physical Chemistry A
Band
82
Ausgabe
13
Seite(n)
2286-2292
ISSN
0036-0244
Page URI
https://pub.uni-bielefeld.de/record/2900041
Zitieren
Vogt N, Vishnevskiy Y, Ivanov A, Vogt J, Vilkov L. The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods. Russian Journal of Physical Chemistry A. 2008;82(13):2286-2292.
Vogt, N., Vishnevskiy, Y., Ivanov, A., Vogt, J., & Vilkov, L. (2008). The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods. Russian Journal of Physical Chemistry A, 82(13), 2286-2292. doi:10.1134/s0036024408130219
Vogt, Natalja, Vishnevskiy, Yuri, Ivanov, Arkadii, Vogt, Jürgen, and Vilkov, Lev. 2008. “The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods”. Russian Journal of Physical Chemistry A 82 (13): 2286-2292.
Vogt, N., Vishnevskiy, Y., Ivanov, A., Vogt, J., and Vilkov, L. (2008). The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods. Russian Journal of Physical Chemistry A 82, 2286-2292.
Vogt, N., et al., 2008. The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods. Russian Journal of Physical Chemistry A, 82(13), p 2286-2292.
N. Vogt, et al., “The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods”, Russian Journal of Physical Chemistry A, vol. 82, 2008, pp. 2286-2292.
Vogt, N., Vishnevskiy, Y., Ivanov, A., Vogt, J., Vilkov, L.: The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods. Russian Journal of Physical Chemistry A. 82, 2286-2292 (2008).
Vogt, Natalja, Vishnevskiy, Yuri, Ivanov, Arkadii, Vogt, Jürgen, and Vilkov, Lev. “The molecular structure of N-methylsuccinimide studied by gas-phase electron diffraction (GED) and quantum-chemical methods”. Russian Journal of Physical Chemistry A 82.13 (2008): 2286-2292.
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