Abstract
AbstractThis paper reports on the first examples of η2‐pentaarylated [60]fullerene organometallic complexes [(η2‐Ar5C60H)M(PPh3)2] (1: Ar = Ph, M = Pt; 2: Ar = m‐MeC6H4, M = Pt; 3: Ar = p‐MeC6H4, M = Pt; 4: Ar = Ph, M = Pd; 5: Ar = m‐MeC6H4, M = Pd; 6: Ar = p‐MeC6H4, M = Pd), which were synthesized by treatment of [M(PPh3)4] with Ar5C60H and fully characterized by elemental analyses and their 1H NMR, 31P NMR, IR, UV/Vis, and FAB‐MS data. The 1H NMR spectra displayed by the protons directly bonded to the C60 core and the 31P NMR spectra caused by the PPh3 ligands indicated that complexes 1−6 exist as mixtures of isomers. To gain insights into the isomerism of 1−6, the regioselectivity of the pentaarylated derivatives Ar5C60H as ligands coordinated to Pt0 or Pd0 has been studied by means of ab initio calculations. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)
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