Dinuclear silver(I)- and gold(I)- N heterocyclic carbene complexes; Synthesis, structural characterizations, photoluminescence and theoretical studies

Herein, a new family of cationic Ag(I)-and Au(I)-, complexes ligated to a novel C boolean AND N donor N -heterocyclic carbene (NHC) ligand 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolin-2-ylidene, (1) are described. Compound 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolium hexafluorophosphate (1.HPF6) essentially serves as a carbene precursor that delivers the NHC carbene to Ag(I) and Au(I). The corre-sponding complex [{Ag(1)}{PF6 }] 2 ,(2), was prepared using mild base Ag2O and 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolium hexafluorophosphate (1.HPF6). Transmetallation method was capitalized to synthesize [{Au(1)}{PF6 }] 2, (3). All the novel compounds were characterized by elemental analysis, 1 H NMR, 13 C NMR, HR mass spectroscopic studies, and finally by single crystal X-ray studies. X-ray crystallo-graphic studies revealed that the dinuclear complex 2 and 3 adopt linear geometry (Ccarbene-Ag/Au-Nimi) where strong Ag-Ag and Au-Au interaction present. The structural assignments were further supported by DFT calculations. TDDFT studies have been performed to inside into the electronic properties. (c) 2022 Elsevier B.V. All rights reserved.

Automated summary

Here, a new family of cationic Ag(I)- and Au(I)- complexes ligated to a novel C boolean AND N donor N-heterocyclic carbene (NHC) ligand 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolin-2-ylidene, (1) was described. The synthesis of the complexes involved the use of compound 3-methyl-1-(1-methyl-2-methylbenzoyl)imidazolium hexafluorophosphate (1.HPF6) as a carbene precursor. The structures of the complexes were characterized using various analytical techniques and confirmed by X-ray crystallographic studies.