title: Group 3 and lanthanide boryl compounds: syntheses, structures, and bonding analyses of Sc-B, Y-B, and Lu-B σ-coordinated NHC analogues.
abstract: Reaction of [Ln(CH(2)SiMe(3))(2)(THF)(n)][BPh(4)] (Ln = Sc, Y, Lu ; n = 3, 4) with Li{B(NArCH)(2)}(THF)(2) (Ar = 2,6-C(6)H(3)(i)Pr(2)) formed the first group 3 and lanthanide boryl compounds, Sc{B(NArCH)(2)}(CH(2)SiMe(3))(2)(THF) and Ln{B(NArCH)(2)}(CH(2)SiMe(3))(2)(THF)(2) (Ln = Y, Lu), which contain two-center, two-electron Ln-B σ bonds. All of these systems were crystallographically characterized. Density functional theory analysis of the Ln-B bonding found it to be predominantly ionic, with covalent character in the σ-bonding Ln-B HOMO.
authors.affiliation: Chemistry Research Laboratory, Department of Chemistry, University of Oxford, Mansfield Road, Oxford OX1 3TA, UK.
authors.forename: Liban M A
authors.initials: LM
authors.lastname: Saleh
authors.forename: Krishna Hassomal
authors.initials: KH
authors.lastname: Birjkumar
authors.forename: Andrey V
authors.initials: AV
authors.lastname: Protchenko
authors.forename: Andrew D
authors.initials: AD
authors.lastname: Schwarz
authors.forename: Simon
authors.initials: S
authors.lastname: Aldridge
authors.forename: Cameron
authors.initials: C
authors.lastname: Jones
authors.forename: Nikolas
authors.initials: N
authors.lastname: Kaltsoyannis
authors.forename: Philip
authors.initials: P
authors.lastname: Mountford