A gas-phase electron diffraction and quantum chemical investigation of the molecular structure of 1-bromosilacyclobutane

The gas-phase electron diffraction experiment has shown that 1-monobromosilacyclobutane (MBSCB) exists in two conformational forms, the axial and equatorial with a significantly higher prevalence of the latter form (73(6)%). Various quantum mechanical procedures have been applied to investigate the...

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Veröffentlicht in:	Journal of molecular structure 2010-08, Vol.978 (1), p.234-245
Hauptverfasser:	Dakkouri, M., Novikov, V.P., Vilkov, L.V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Angles (geometry) Bonding Carbon-carbon composites Deletion Electron diffraction Molecular structure NBO deletion and AIM analyses Orbitals Quantum chemistry Quantum mechanical calculations Structural and conformational analysis
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