Solid state bonding situation of benzyl silanes: Influence of an intramolecular ammonium group

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• 作者：Felix Otte^a ; ^{felix.otte@tu-dortmund.de} ; Stephan G. Koller^a ; ^{stephan.koller@tu-dortmund.de} ; Elena Cuellar^b ; ^{elena.cuellar@alumnos.uva.es} ; Christopher Golz^a ; ^{christopher.golz@tu-dortmund.de} ; Carsten Strohmann^a ; ^{carsten.strohmann@tu-dortmund.de}
• 关键词：Organosilanes ; Benzyl compounds ; Ammonium compounds ; X-ray crystal structures ; Bent&rsquo ; s rule ; DFT calculations
• 刊名：Inorganica Chimica Acta
• 出版年：2017
• 出版时间：24 February 2017
• 年：2017
• 卷：456
• 期：Complete
• 页码：44-48
• 全文大小：951 K
• 卷排序：456

文摘

Synthesis and characterization of benzyl silanes with intramolecular ammonium group. Structures has been elucidated by single-crystal X-ray analysis. Change of bond lengths and angles due to polarization effects. Determination of the electronic structure by DFT calculations and NBO analysis. Bent’s rule as a theoretical basis for the discussion.