title: Structure and bonding in a cyclobutyl tris(pyrazolyl)boratoniobium complex and the variation in agostic behaviour with ring size in the series Tp(Me2)NbCl(c-C(n)H(2n-1))(MeC[triple bond]CMe), n = 3-6.
abstract: The synthesis and characterisation of the cyclobutyl complex Tp(Me2)NbCl(c-C4H7)(MeC[triple bond]CMe) completes the family of cycloalkyl complexes Tp(Me2)NbCl(c-C(n)H(2n-1)), n = 3-6. The properties of the cyclobutyl complex are qualitatively similar to those of its cyclopentyl and cyclohexyl analogues, and dramatically different from those of the cyclopropyl derivative. Most conspicuously, the cyclobutyl system has an alpha-C-H agostic interaction in the dominant isomer, with no evidence for the alpha-C-C agostic character found for the smaller ring. C-C agostic character therefore seems to be unique to the cyclopropyl complex, where the acute C-C-C angles destabilise the C-C bonding orbitals.
authors: Unitat de Química Física, Edifici Cn, Universitat Autònoma de Barcelona, 08193, Bellaterra, Catalonia, Spain. maria@klingon.uab.es
authors: Maria
authors: M
authors: Besora
authors: Feliu
authors: F
authors: Maseras
authors: John E
authors: JE
authors: McGrady
authors: Pascal
authors: P
authors: Oulié
authors: Duy Hai
authors: DH
authors: Dinh
authors: Carine
authors: C
authors: Duhayon
authors: Michel
authors: M
authors: Etienne