The structural and electronic impact on the photophysical and biological properties of a series of CuI and AgI complexes with triphenylphosphine and pyrimidine-type thionesElectronic supplementary information (ESI) available: Crystallographic data and refinement details of the isolated complexes (Table S1), theoretical structural and energetic data in various media for pymtH and dmpymtH (Table S2), optimized structures and geometry parameters of the studied AgI and CuI cations (Tables S3-S6), NB

• Main Authors: Papanikolaou, Panagiotis A, Papadopoulos, Anastasios G, Andreadou, Eleni G, Hatzidimitriou, Antonios, Cox, Philip J, Pantazaki, Anastasia A, Aslanidis, Paraskevas
• Format: Article
• Language: English
• ISSN: 1144-0546; 1369-9261
• DOI: 10.1039/c4nj02203c

Four Cu I and three Ag I mixed-ligand complexes containing a heterocyclic pyrimidine-type thione (pymtH = pyrimidine-2-thione or dmpymtH = 4,6-dimethyl-pyrimidine-2-thione) and triphenylphosphine (PPh 3 ) have been synthesized and structurally characterized. All copper and two of the silver compounds, namely [Cu(PPh 3 ) 2 (pymtH) 2 ]BF 4 ( 1 ), [Cu(PPh 3 ) 3 (pymtH)]BF 4 ( 2 ), [Cu(PPh 3 ) 2 (dmpymtH) 2 ]BF 4 ( 3 ), [Cu(PPh 3 ) 3 (dmpymtH)]BF 4 ( 4 ), [Ag(PPh 3 ) 3 (pymtH)]NO 3 ( 5 ) and [Ag(PPh 3 ) 3 (dmpymtH)]NO 3 ( 6 ), reveal a tetrahedral coordination environment while [Ag(PPh 3 ) 2 (pymtH)]NO 3 ( 7 ) preferentially adopts a trigonal planar arrangement. The stoichiometry of the isolated silver complexes does not always follow the respective stoichiometries of the synthetic procedures. The photophysical properties of all the isolated products have been evaluated. In solution, phosphine derived emission is detected while in the solid state only [Cu(PPh 3 ) 3 (dmpymtH)]BF 4 ( 4 ) emits from a state of different parentage. All of the complexes were also tested for in vitro antibacterial activity against four bacterial strains and for anti-inflammatory activity by measuring lipoxygenase inhibition activity. A controllable S,P-coordination environment resulting in selective structural, emissive and antibacterial properties.