Cationic Terminal Borylene Complexes: Structure/Bonding Analysis and [4+1] Cycloaddition Reactivity of a BN Vinylidene Analogue

Charge changes everything: The cationic terminal aminoborylene complex [CpFe(CO)2(BNCy2)]+[BArF4]− (1, Cy= cyclohexyl, ArF=3,5‐(CF3)2C6H3; Fe orange, B green, N blue, O red, C gray) was structurally characterized. DFT studies (see HOMO−2) indicate delocalized π bonding along the linear Fe‐B‐N framew...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2006-09, Vol.45 (37), p.6118-6122
Main Authors: Aldridge, Simon, Jones, Cameron, Gans-Eichler, Timo, Stasch, Andreas, Kays (née Coombs), Deborah L., Coombs, Natalie D., Willock, David J.
Format: Article
Language:English
Subjects:
boron
borylene ligands
cycloaddition
density functional calculations
iron
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Summary:Charge changes everything: The cationic terminal aminoborylene complex [CpFe(CO)2(BNCy2)]+[BArF4]− (1, Cy= cyclohexyl, ArF=3,5‐(CF3)2C6H3; Fe orange, B green, N blue, O red, C gray) was structurally characterized. DFT studies (see HOMO−2) indicate delocalized π bonding along the linear Fe‐B‐N framework and significant FeB and BN multiple‐bond character.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.200602162