Abstract
A new stable phosphorus ylide (p-tolyl)3P = CHCOC6H4(p-CN) (Y) was synthesized and a series of novel complexes based on metalated phosphorus ylides were prepared through the reaction of (p-tolyl)3P = CHCOC6H4(p-CN) with mercury(II) halides, AgNO3 and Cd(NO3)2 in equimolar ratios using MeOH or CH2Cl2 as solvent. Characterization of the obtained compounds was also performed by elemental analysis, FT-IR, 1H, 31P, and 13C NMR techniques. The crystal structure of complex [Y→HgCl2] was determined by X-ray diffraction method, in which the coordination of the prepared ylide occurred to the Hg center in a symmetric halide-bridged structure. The structure and nature of Hg-C bond in the aforementioned complex were studied based on DFT method using Natural bond orbital (NBO), Energy-decomposition analysis (EDA) and ETS-NOCV. The antibacterial applicability of the synthesized mercury(II) complexes was explored against five Gram-positive and four Gram-negative bacteria types. The novelty of the presented work is: (1) the synthesis of five new complexes, (2) conducting theoretical and (3) biological investigation of the prepared complexes.
Graphical Abstract
Disclosure statement
No potential conflict of interest was reported by the authors.