Dinuclear silver-bis(N-heterocyclic carbene) complexes: Synthesis, catalytic activity in propargylamine formation and computational studies
| dc.contributor.author | Atli, DD | |
| dc.contributor.author | Sen, B | |
| dc.date.accessioned | 2025-04-10T10:32:06Z | |
| dc.date.available | 2025-04-10T10:32:06Z | |
| dc.description.abstract | Preparation of a series of 1,1 '-dialkyl-3,3 '-(2-methylenepropane-1,3-diyl)dibenzimidazolium salts (alkyl = ethyl, propyl, butyl) (2a-2c) and their dinuclear bis(N-heterocyclic carbene) silver complexes (3a-3c) is reported. The silver complexes were synthesized via in situ deprotonation with Ag2O in 67-74% yields. The structural definitions of the synthesized compounds were performed by H-1 NMR, C-13 NMR, elemental analysis, FT-IR and also LC-MSMS techniques (only for 3a-3c). The silver complexes were utilized for three-component coupling reactions of aldehydes, amines and alkynes (A(3)-coupling). It was found that increasing the chain length of the alkyl substituent on the N-heterocyclic carbene ligand led to increase in catalytic performance. 3c showed the highest activity with 81% yield and with TON of 27 for N,N-diethyl-3-phenylprop-2-yn-1-amine formation. Geometry optimization was performed and geometric parameters were calculated for the compounds. The theoretical harmonic vibration frequencies of molecules were computed by DFT/B3LYP methods for their optimized geometries. | |
| dc.identifier.e-issn | 1029-0389 | |
| dc.identifier.issn | 0095-8972 | |
| dc.identifier.uri | http://hdl.handle.net/20.500.14701/38530 | |
| dc.language.iso | English | |
| dc.title | Dinuclear silver-bis(N-heterocyclic carbene) complexes: Synthesis, catalytic activity in propargylamine formation and computational studies | |
| dc.type | Article |