Coordination mode of the N-[bis(diethylamino)phosphoryl]benzenesulfonamide ligand in Lu(III) and Ag(I) complexes. Mass spectra, thermal properties and DFT calculations

Abstract

The sulfonylamidophosphate ligand C6H5SO2NHPO(N(C2H5)2)2 (HL) has been used for the synthesis of two novel complexes: LuL3 (1) and (AgL)n (2). According to an X-ray diffraction study, in the structure of HL, the molecules are linked into polymeric chains by strong N–H⋯O = P hydrogen bonds. The three acido-ligands (L−) in the structure of 1 are coordinated to the lutetium ion in a bidentate-chelate manner via two oxygen atoms of the phosphoryl and sulfonyl groups, forming six-membered metallocycles, which adopt a boat conformation. In the structure of 2, the ligand is coordinated in the bidentate-bridging mode via the oxygen atom of the phosphoryl group and the nitrogen atom of the imide group; the chelate adopts a twist-boat conformation. The thermal behavior of the complexes 1 and 2 was studied by means of TG analysis. Results of IR-spectroscopy and LDI, ESI MS are discussed and compared with those obtained from DFT calculations.