Resonance Raman spectroscopy and density functional theory calculation study of photodecay dynamics of tetra(4-carboxyphenyl) porphyrin

Abstract

The 397.9 nm, 416.0 nm and 435.7 nm resonance Raman spectra were acquired for meso-tetrakis(4-carboxyphenyl)porphyrin (TCPP) in tetrahydrofuran solution, and the Raman effect of relaxation dynamics was analyzed according to Herzberg-Teller (vibronic coupling) contributions. Density functional calculations were done to help the elucidation of the Soret (B(x) and B(y)-band) electronic transitions and the corresponding photo relaxation dynamics of TCPP. The spectra indicate that the Franck-Condon region photo relaxation dynamics upon S(0) → S(4) electronic transition are predominantly along the totally symmetric C(m)-ph stretch and Porphin ring breath stretch, and simultaneously along the asymmetric ν(C(m)-Phenyl) + δ(N-H) and ν(C(α)-C(m)-C(α))(as) + def (pyr) vibrational relaxation processes. The excited state structural dynamics of TCPP determined from the resonance Raman spectra show that the internal conversion between the B(y) and B(x) electronic states occurs in tens of femtoseconds, and the electronic relaxation dynamics were firstly interpreted taking into account the time-dependent wave packet theory and Herzberg-Teller (vibronic coupling) contributions.

An improved method for the purification of fullerene from fullerene soot with activated carbon, celite, and silica gel stationary phases

“…Enhancement in the D band intensity is often linked to successful attachment of FeTCPP (Cl) complex onto the GO surface. Here, the intensity ratio (I D /I G ) increased up to 0.98 for GO-FeTCPP (Cl), a finding that is consistent with the introduction of sp 3 defects after the functionalization and a partial recovery of the graphene structure [20,21,[25][26][27].…”

Enhanced adsorptive removal of anionic and cationic dyes from single or mixed dye solutions using MOF PCN-222

“…S4 and Table S1, † which agree with the ngerprint bands of the organic linker TCPP. 36 Effect of pH value on zeta potential, adsorption and coadsorption of anionic/cationic dyes It is accepted that the key mechanism of adsorptive removal of dyes in aqueous solutions is electrostatic interactions between MOFs and dyes. 17 Zeta potential is an adsorbent's characteristic that affects the interaction and the adsorption capacity.…”

Arginine-Mediated Self-Assembly of Porphyrin on Graphene: A Photocatalyst for Degradation of Dyes

“…These results indicate that assembled TCPP aggregates are crystalline in nature, which may be due to aromatic π-π stacking between the porphyrin molecules [25]. Fourier transform infrared (FTIR) and Raman spectra of monomeric TCPP and GNPs@TCPP nanofibers also reveal characteristic bands for both GNPs and porphyrin components ( Figures S3 and S4) [45]. The optical properties of TCPP nanofibers on GNPs were further investigated by photoluminescence ( Figure 4B).…”