Halogen and hydrogen bonding in cis-dichlorobis(propionitrile)platinum(II) chloroform monosolvate

Abstract

Abstract The weak intermolecular noncovalent interactions in the solvate cis-[PtCl2(C2H5CN)2]·CHCl3 were studied by XRD and DFT methods. Special attention was paid to a chloroform molecule as a potential donor of both hydrogen and halogen bonds. On the one hand, the H atom of chloroform links two Cl atoms of cis-[PtCl2(C2H5CN)2] (Hchloroform–Clcomplex (2.660 Å, 2.811 Å)), and on the other side, the weak Clchloroform–Clcomplex (3.247 and 3.497 Å) interactions were found. According to DFT calculation, only the Hchloroform–Clcomplex (2.660 and 2.811 Å) and Clchloroform–Clcomplex (3.247 Å) interactions can be classified as weak noncovalent bonds, whereas the contacts Clchloroform–Cnitrile (3.391 Å) and Clchloroform–Clcomplex (3.497 Å) are due to the crystal packing effect.