Efficient π-stacking with benzene provides 2D assembly of trans-[PtCl2(p-CF3C6H4CN)2]

The new platinum(II) complex trans-[PtCl2(p-CF3C6H4CN)(2)], which was obtained upon treatment of [PtCl2(MeCN)(2)] with excess of p-CF3C6H4CN, co-crystallizes with benzene giving 2D layers formed by complex benzene and complex complex pi-stacking interactions. These interactions were detected by X-ray crystallography and their nature was analyzed by DFT calculations (M06 functional), including AIM analysis, inspection of NBO atomic charges, and evaluation of the vertical total energies for dissociation in the model supramolecular cluster. The crystal packing insignificantly effect the structure of the supramolecular associates and pi-stacking interactions are rather weak. (C) 2015 Elsevier B.V. All rights reserved.