STUDY OF THE GEOMETRIC PREFERENCES OF COPPER(I) HALIDE COORDINATION-COMPOUNDS WITH TRIARYLPHOSPHINES - CRYSTAL-STRUCTURE OF [CU2I2(P(M-TOLYL)3)3]

The copper(I) halide adducts with tri-m-tolylphosphine are prepared an d studied by spectroscopic methods. The crystal structure of [Cu2I2{P( m-tolyl)3}3] is reported. The title compound crystallizes in the P1 sp ace group with a = 17.729(1), b = 13.682(2), c = 24.635(3) (angstrom), alpha = 117.769(4), beta = 104.966(4), gamma = 107.536(3)-degrees and Z = 2.The versatility of the above adducts as revealed by the present and analogous compounds is investigated computationally using EHT cal culations. These support the relative stability of the observed geomet ric arrangement in relation to ones where both copper atoms possess id entical local environments, either trigonal planar or pseudotetrahedra l provided that the phosphine bulk is not the determining factor in th e complex formation.