Experimental and computational studies of novel Sudan-I dye modified conjugated oligomers: Efficient 1O2 generation and antileishmanial characteristics

Theoretical studies of conducting polymers: a mini review

“…On similar grounds, the DFT studies dealing with the reaction of azobenzene with aniline, 1-naphthylamine, luminol and o-phenylenediamine were also attempted using the DFT/B3LYP method with the 6-311G basis set while theoretical 1 H-NMR spectra were obtained by the gauge independent atomic orbital (GIAO) method. 86,87 The theoretically computed spectra matched closely with the experimental findings which confirmed the electronic structure of the synthesized polymers. 88…”

“…The experimental electronic as well as vibrational spectra matched the theoretical spectra. 84 The theoretical studies pertaining to the modification of PANI and poly( o -phenylenediamine) (POPD) with Sudan-I dye and homopolymerization and co-oligomerization of the Congo red (CR) dye with aniline and o -phenylenediamine were also reported via DFT studies 85,86 (Fig. 13).…”

Covalent Triazine Frameworks with Defective Accumulation Sites: Exceptionally Modulated Electronic Structure for Solar-Driven Oxidative Activation of Peroxymonosulfate

“…The difference in degradation efficiency of the four organics might be the result of selective oxidation of 1 O 2 generated in this process. The compounds 4-CP, IBF, and BPA, which contain groups with high electron density (such as hydroxyl groups), could be effectively degraded via electrophilic attack by 1 O 2 . In contrast, CBZ without such groups in its molecule was less effective in the degradation reaction.…”

“…The compounds 4-CP, IBF, and BPA, which contain groups with high electron density (such as hydroxyl groups), could be effectively degraded via electrophilic attack by 1 O 2 . 49 In contrast, CBZ without such groups in its molecule was less effective in the degradation reaction. Finally, when placing BPA degradation in real water matrices such as tap water and river water (Figure S27), the removal efficiency under CTF-SD 2 /PMS/vis conditions was still deemed valid enough, certifying that the 1 O 2 -mediated oxidative system possesses good anti-interference performance toward background ions/ natural organic matter (NOM).…”

Influence of different amino functional groups on structural, optical, and morphological properties of PMMA and their nanocomposites

“…The relatively high intensity of peaks in spectrum attributed that the number of decaying excited state polymeric molecules were at higher value, or HOMO's and LUMO's were symmetrically disposed. [32,33] The fluorescence phenomenon could be defined as the emission of light of longer wavelength by some atoms or molecules with subsequently absorption of light of particular wavelength. [34] In our study, NC1, NC2A, NC3B, NC4B, and NC2B absorb light at 380 nm while emitting the light at higher wavelength which indicated good fluorescence properties.…”