Details

Autor(en) / Beteiligte

• Łączkowski, Krzysztof Z.
• Czyżnikowska, Żaneta
• Zaleśny, Robert
• Baranowska-Łączkowska, Angelika

Titel

The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

Ist Teil von

• Structural chemistry, 2013-10, Vol.24 (5), p.1485-1492

Ort / Verlag

Boston: Springer US

Erscheinungsjahr

2013

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Ten oxazaborolidine–borane complexes, nine among them boron-substituted (B–R, R=CH 3 , CF 3 , and OCH 3 ), are carefully analysed using quantum-chemistry methods to determine their equilibrium geometries and the corresponding oxazaborolidine–borane interaction energies. It is observed that in all B-trifluoromethyl substituted oxazaborolidine–borane complexes and in one B-methyl substituted complex the B–H–B bond is formed and the interaction energies are 1.5–2.5 times as large as in other investigated complexes. We believe that the presented results may be helpful in experimental recognition of oxazaborolidine–borane complexes which may appear, inter alia, as reaction intermediates.