Effect upon the hydrogen atoms of bonding an allyl group to a transition metal. A theoretical investigation and an experimental determination using neutron diffraction of the structure of bis(.eta.3-allyl)nickel

P28.01: Comparison of embryo volume in first trimester using multiplanar and VOCAL methods

“…The bond between Ni and the central allylic carbon C13 is 1.963(3) Å, which is shorter than those between Ni and C12 and C14 (2.108(3) Å and 2.034(4) respectively), as expected. These values are very similar to those of the reported bis(η 3 ‐methallyl)nickel and the C12‐C13‐C14 bond angle (123.4(3) Å) is only slightly more obtuse than the idealized value of 120° 20. The NiC bond in the CH activated tert ‐butyl group (NiC5, 1.958(3) Å) is identical (within esds), to the NiCH 3 bond length (1.965(5) Å) in [Ni( t Bu 2 PC 2 H 4 P t Bu 2 )Me 2 ] 21…”

Unusual Reactivity of a Nickel N‐Heterocyclic Carbene Complex: tert‐Butyl Group Cleavage and Silicone Grease Activation

“…These values are very similar to those of the reported bis(h 3 -methallyl)nickel and the C12-C13-C14 bond angle (123.4(3) ) is only slightly more obtuse than the idealized value of 1208. [20] The NiÀC bond in the CÀH activated tertbutyl group (NiÀC5, 1.958(3) ) is identical (within esds), to the NiÀCH 3 bond length (1.965(5) ) in [Ni(tBu 2 PC 2 H 4 -PtBu 2 )Me 2 ]. [21] The successful isolation of complexes 4 and 5 suggests a mechanism for the formation of 3, summarized in Scheme 1.…”

A Manganese(II) Allyl Complex: Synthesis, Structure, and Magnetic Properties of [Li(thf)4][Mn{η3‐(Me3Si)2C3H3}{η1‐(Me3Si)2C3H3}2]

“…Thus, in the structure of 1 H(1) and H(3) are oriented away from Mn(1) to reduce steric congestion and H(2) is oriented towards Mn(1) to improve the metal–ligand bonding. Theoretical investigations on the series of unsubstituted allyl–alkali‐metal complexes [M(η 3 ‐C 3 H 5 )] (M=Li–Cs) suggest that bending of the allyl hydrogen atoms as in 1 is common for ionic metal allyls11 as it is for typical transition‐metal allyls such as [Ni(η 3 ‐C 3 H 5 ) 2 ] 12…”