Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F18%3A00489820" target="_blank" >RIV/61388971:_____/18:00489820 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.saa.2017.12.021" target="_blank" >http://dx.doi.org/10.1016/j.saa.2017.12.021</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2017.12.021" target="_blank" >10.1016/j.saa.2017.12.021</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH

Popis výsledku v původním jazyce

The effect of pH change on 5,10,15,20-Tetrakis(4-hydroxypheny1)-21H,23H-porphine (THPP) with its aggregation as function of water-ethanol mixture was studied with UV-vis, fluorescence, Raman and computational analysis. In neutral pH, THPP was present as free-base and, increasing the water amount, aggregation occurred with the formation of H- and J-aggregates. The aggregation constant and the concentration of dimers were calculated, other information about the dimer aggregation were evaluated by computational study. nIn acidic pH, by the insertions of two hydrogens in the porphyrin rings, the porphyrin changed its geometry with a ring deformation confirmed by red-shifted spectrum and quenching in fluorescence, at this low pH, increasing the water amount, the acidic form (THPPH2)(2+) resulted more stable due to a polar environment with stronger interaction by hydrogen bonding. nIn basic pH, reached by NH4OH, THPP porphyrin was able to react with alkali metals in order to form sitting-atop complex (M2THPP) confirmed by the typical absorption spectrum of metallo-porphyrin, Raman spectroscopy and by computational analysis.

Název v anglickém jazyce

Aggregation and metal-complexation behaviour of THPP porphyrin in ethanol/water solutions as function of pH

Popis výsledku anglicky

The effect of pH change on 5,10,15,20-Tetrakis(4-hydroxypheny1)-21H,23H-porphine (THPP) with its aggregation as function of water-ethanol mixture was studied with UV-vis, fluorescence, Raman and computational analysis. In neutral pH, THPP was present as free-base and, increasing the water amount, aggregation occurred with the formation of H- and J-aggregates. The aggregation constant and the concentration of dimers were calculated, other information about the dimer aggregation were evaluated by computational study. nIn acidic pH, by the insertions of two hydrogens in the porphyrin rings, the porphyrin changed its geometry with a ring deformation confirmed by red-shifted spectrum and quenching in fluorescence, at this low pH, increasing the water amount, the acidic form (THPPH2)(2+) resulted more stable due to a polar environment with stronger interaction by hydrogen bonding. nIn basic pH, reached by NH4OH, THPP porphyrin was able to react with alkali metals in order to form sitting-atop complex (M2THPP) confirmed by the typical absorption spectrum of metallo-porphyrin, Raman spectroscopy and by computational analysis.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10608 - Biochemistry and molecular biology

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

ISSN

1873-3557

e-ISSN

—

Svazek periodika

193

Číslo periodika v rámci svazku

MAR 15

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

235-248

Kód UT WoS článku

000424962900031

EID výsledku v databázi Scopus

2-s2.0-85037990529