MATRIX-INVESTIGATIONS ON MONOMERIC COPPER(I) CHLORIDE AND ITS COMPLEXES WITH N-2 AND PN LIGANDS - IR SPECTROSCOPIC RESULTS AND ABINITIO CALCULATIONS

In solid argon the reaction of monomeric CuCl with N2 yields ClCuN2. On the basis of two absorptions in the ir-spectrum and their corresponding isotopic shifts (N-14/N-15) and with the help of a normal coordinate analysis, linearity of the molecule has been deduced. These results are confirmed by large scale ab-initio calculations (CPF, MP2). Reaction of monomeric CuCl with molecular PN under matrix conditions is shown to give rise to new absorptions in the IR spectrum which are assigned to a linear molecule ClCuNP.