%0 Generic
%A Fecker, Ann Christin
%A Crăciun, Bogdan-Florin
%A Freytag, Matthias
%A Jones, Peter
G.
%A Walter, Marc D.
%D 2015
%T Synthesis and Coordination Chemistry of Pentadienyl
Ligands Derived from (1R)‑(−)-Myrtenal
%U https://acs.figshare.com/articles/dataset/Synthesis_and_Coordination_Chemistry_of_Pentadienyl_Ligands_Derived_from_1_i_R_i__Myrtenal/2036988
%R 10.1021/om500513m.s005
%2 https://acs.figshare.com/ndownloader/files/3608295
%K Density
%K computation
%K Pentadienyl Ligands Derived
%K chiral pentadienes
%K methylnopadiene
%K Synthesi
%K tBuNC adducts
%K Schlosser base
%K coordination chemistry
%K PMe 3
%K series
%K metal coordinates
%K trozircene
%K Deprotonation
%K pentadienide
%K metal coordination
%K conformation
%K Pdl
%K methylphenylnopadiene
%K pentadienyl systems
%K Wittig reactions
%K Coordination Chemistry
%K sterically
%K DFT
%K potassium
%K face selectivity
%K dimethylnopadiene
%K 7H
%K complex
%K NMR spectroscopy
%K material
%K diffraction
%X With the natural product (1R)-(−)-myrtenal
as the starting material, a series of chiral pentadienes (Pdl*) such
as dimethylnopadiene (2a), methylphenylnopadiene (2b), and methylnopadiene (2c) have been prepared
by Wittig reactions. Deprotonation with the Schlosser base gives the
corresponding potassium pentadienides 3a-K–3c-K, whose structures were investigated by NMR spectroscopy
and X-ray diffraction studies. In all cases a “U” conformation
was observed. Furthermore, the coordination chemistry and electronic
properties of these new pentadienyl systems were explored in several
half-open trozircene complexes [(η7-C7H7)Zr(η5-Pdl*)] and their PMe3 and tBuNC adducts. Density functional theory (DFT)
computations are consistent with the experimentally observed face
selectivity upon metal coordination: namely, that the metal coordinates
exclusively from the sterically less encumbered side.
%I ACS Publications