In the %Transmittance IR spectrum of a free base 5,10,15,20-(4-cyanophenyl)porphyrin produced three medium intensity peaks at 3623, 3726 and 3880 cm-1. May anyone justify these peaks?
Let’s delve into the interpretation of the IR spectrum for 5,10,15,20-(4-cyanophenyl)porphyrin.
3623 cm⁻¹ Peak:
This peak corresponds to the stretching vibration of the N–H bond in the porphyrin ring 1.
The presence of this peak suggests the involvement of nitrogen atoms in the molecule.
3726 cm⁻¹ Peak:
This peak is attributed to the stretching vibration of the C–H bond for sp³ carbons 1.
It indicates the presence of hydrogen atoms in the compound.
3880 cm⁻¹ Peak:
This peak corresponds to the stretching vibration of C=C bonds in the vicinity of 1470 cm⁻¹ 1.
It signifies the presence of double bonds (conjugated systems) in the molecule.
Overall, the IR spectrum provides insights into the functional groups and bonding patterns within the 5,10,15,20-(4-cyanophenyl)porphyrin. These peaks are consistent with the expected vibrations based on the molecular structure.
For further analysis, computational methods such as density functional theory (DFT) have been employed to propose Jablonsky diagrams, assess decay channels, and establish the feasibility of singlet oxygen generation. The inclusion of a diamagnetic metal, such as Zn(II), significantly enhances the photodynamic activity of porphyrins 1.
Remember that IR spectra are powerful tools for identifying functional groups and understanding molecular vibrations in organic compounds. 🧪🔬