Photooxidation of Aniline Derivatives Can Be Activated by Freezing Their Aqueous Solutions

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00483886" target="_blank" >RIV/61388963:_____/17:00483886 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14310/17:00095495

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.est.7b04510" target="_blank" >http://dx.doi.org/10.1021/acs.est.7b04510</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.est.7b04510" target="_blank" >10.1021/acs.est.7b04510</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Photooxidation of Aniline Derivatives Can Be Activated by Freezing Their Aqueous Solutions

Popis výsledku v původním jazyce

A combined experimental and computational approach was, used to investigate the spectroscopic properties of three different aniline derivatives (aniline, N,N-dimethylaniline, and N,N-diethylaniline) in aqueous solutions and at the air-ice interface in the temperature range of 243-298 K The absorption and diffuse reflectance spectra of ice samples prepared by different techniques, such as slow or shock freezing of the aqueous solutions or vapor deposition on ice grains, exhibited unequivocal bathochromic shifts of 10-15 nm of the absorption maxima of anilines in frozen samples compared to those in liquid aqueous solutions. DFT and SCS-ADC(2) calculations showed that contaminant contaminant and contaminant-ice interactions are responsible for these shifts. Finally, we demonstrate that irradiation of anilines in the presence of a hydrogen peroxide/O-2 system by wavelengths that overlap only with the red-shifted absorption tails of anilines in frozen samples (while having a marginal overlap with their spectra in liquid solutions) can almost exclusively trigger a photochemical oxidation process. Mechanistic and environmental considerations are discussed.

Název v anglickém jazyce

Photooxidation of Aniline Derivatives Can Be Activated by Freezing Their Aqueous Solutions

Popis výsledku anglicky

A combined experimental and computational approach was, used to investigate the spectroscopic properties of three different aniline derivatives (aniline, N,N-dimethylaniline, and N,N-diethylaniline) in aqueous solutions and at the air-ice interface in the temperature range of 243-298 K The absorption and diffuse reflectance spectra of ice samples prepared by different techniques, such as slow or shock freezing of the aqueous solutions or vapor deposition on ice grains, exhibited unequivocal bathochromic shifts of 10-15 nm of the absorption maxima of anilines in frozen samples compared to those in liquid aqueous solutions. DFT and SCS-ADC(2) calculations showed that contaminant contaminant and contaminant-ice interactions are responsible for these shifts. Finally, we demonstrate that irradiation of anilines in the presence of a hydrogen peroxide/O-2 system by wavelengths that overlap only with the red-shifted absorption tails of anilines in frozen samples (while having a marginal overlap with their spectra in liquid solutions) can almost exclusively trigger a photochemical oxidation process. Mechanistic and environmental considerations are discussed.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

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

2017

Kód důvěrnosti údajů

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

Název periodika

Environmental Science and Technology

ISSN

0013-936X

e-ISSN

—

Svazek periodika

51

Číslo periodika v rámci svazku

23

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

13763-13770

Kód UT WoS článku

000417549500026

EID výsledku v databázi Scopus

2-s2.0-85038206874