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Sandwich complexes; MO calculations; Nickel; Platinum; Boron heterocycle; C-H agostic
Abstract:
Homoleptic metal complexes of the boron heterocycle 2,3-dihydro-1,3-diborole {(R1C)2(R2B)2R3(H)C} 1
are described. X-Ray crystal structure determinations of two nickel and platinum derivatives are presented.
In the nickel complex [Ni(1d)2] 6d (R1 = R2 = R3 = Et) the essentially coplanar heterocycles attain
a pentahapto coordination mode with a gauche orientation with respect to one another. An 18 VE count is
attained. In contrast, in the 14 VE platinum complex [Pt(1a)2] 4a (R1 = R2 = Et, R3 = Me) the ligands are
strongly folded and adopt a tetrahapto coordination. The molecule is centrosymmetric in the crystalline
state. DFT MO calculations are presented to establish the relative stabilities of these coordination modes
for nickel and platinum, respectively.
