Shet, S.N.Patil, M.Shetti, V.S.2026-02-042024New Journal of Chemistry, 2024, 48, 25, pp. 11349-1135911440546https://doi.org/10.1039/d4nj01788ahttps://idr.nitk.ac.in/handle/123456789/21126The chemical synthesis of 5-(4-azidophenyl)-10,15,20-tris(2-furyl/2-thienyl)porphyrins and their utilization in a Cu(i) catalyzed alkyne-azide ‘click’ reaction (CuAAC) with ethynylferrocene to obtain the hitherto unknown meso-tris(2-furyl/2-thienyl) substituted porphyrin-ferrocene ‘click’ conjugates are reported. These new ‘click’ conjugates were studied along with the reference ‘click’ conjugates containing all-meso-aryl substituted porphyrins by experimental and computational methods. Compared to the reference, the new conjugates displayed red-shifted absorption/emission bands, easier porphyrin ring reduction, and an efficient photoinduced electron transfer (PET) process from ferrocene to a porphyrin unit. Density functional theory (DFT) calculations performed on these conjugates revealed a good correlation with the experimental results. © 2024 The Royal Society of Chemistry.Computation theoryCopper compoundsDensity functional theoryIron compoundsOrganometallicsRed Shift% reductionsClick reactionComputational studiesEmission bandsEthynylferroceneFerrocenesPhotoinduced electron-transfer processPorphyrin ringsRed-shiftedThienylPorphyrinsdichloromethaneferroceneporphyrinprotonpyrrole derivativetrifluoroacetic acidabsorptionabsorption spectroscopyArticlecarbon nuclear magnetic resonancecatalysisclick chemistrycolumn chromatographycomparative studyconjugatecyclic voltammetrydensity functional theorydifferential pulse voltammetryelectrochemical analysisfluorescenceoxidationoxidation reduction potentialpolymerizationproton nuclear magnetic resonancepurificationquantum yieldreduction (chemistry)substitution reactionsynthesis