A comparative study of Pd/Pt-cyclopropa[۶۰]fullerenes compounds withambidentate phosphorous ylide ligands; Synthesis and DFT calculations

Functionalization of fullerenes C۶۰ and investigation of their new properties, in particular,biological and reactivity studies of these compounds have attracted the attention of academicresearchers in the past decades [۱]. Although there are many reports of metallofullerenes [۲], fewstudies have focused on the Pd/Pt-cyclopropa[۶۰]fullerene complexes bearing phosphorusligands [۳]. Among them, the simple mono- and diphosphines are the most widely used ligandscoordinated to C۶۰ and neutral Pd(۰)/Pt(۰) core which form metallacyclopropa[۶۰]fullerenecomplexes [۴]. Versatile functionalized diphosphines, especially α-keto stabilized phosphorusylides can coordinate to transition metal ions through the terminal PPh۲ group and/or formallynegatively charged carbanion [۵]. In this work, the reaction of C۶۰ with [Pd/Pt(dba)۲] (dba=dibenzylideneacetone) and phosphorus ylides [Ph۲P(CH۲)nPPh۲C(H)C(O)C۶H۴-m-OMe] (n=۱,(L۱); n=۲, (L۲)) gave the new Pd/Pt-[۶۰]fullerene complexes These complexes have been fullycharacterized by spectroscopic methods (۱H, ۱۳C, and ۳۱P) and other conventional techniquessuch as IR, elemental analysis and mass spectrometry. Theoretical studies confirmed the P, Cchelationand P-coordination behaviors of ligands L۱ and L۲, respectively.

Keywords:

Synthesis , Pd/Pt-[۶۰]fullerene Complexes , Phosphorus Ylide , DFT Studies , Multinuclear NMR