Spying on Fe ions and their role in modified aluminosilicates during the sorption of anions using solid-state NMR spectroscopy

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F17%3A00469645" target="_blank" >RIV/61389013:_____/17:00469645 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22310/17:43913932

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.micromeso.2016.12.030" target="_blank" >http://dx.doi.org/10.1016/j.micromeso.2016.12.030</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.micromeso.2016.12.030" target="_blank" >10.1016/j.micromeso.2016.12.030</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Spying on Fe ions and their role in modified aluminosilicates during the sorption of anions using solid-state NMR spectroscopy

Popis výsledku v původním jazyce

Post-synthetic modifications of zeolites enable their possible use as adsorbents in separation and purification processes. Here, we present a multinuclear (29Si, 27Al, 31P) magnetic resonance study of solid samples of zeolite A (LTA) and hydroxysodalite (HS), their post-synthetic modification using FeSO4 solution, and the results of their analysis by NMR after the anion (PO43-) adsorption process. High-resolution 29Si and 27Al MAS NMR spectra provide valuable structural information on the oxidation of Fe2+ ions to Fe3+ species during the modification process, whereas 27Al 3Q/MAS solid-state NMR spectra of LTA and HS unveil a simultaneous dealumination process characteristic of acid leaching in aluminosilicate systems. 31P solid-state NMR spectra of LTA and HS, collected at “very-fast” spinning speed, revealed a dramatic change in the chemical shift values for the phosphates present, directly characteristic of FePO4 in the case of LTA, and phosphates of alkali and/or alkaline earth metals in the case of HS. Moreover, density functional theoretical (DFT) computations provide satisfactory agreement with the obtained 27Al and 29Si experimental data. This work demonstrates possible NMR approaches to the characterization of complex framework materials and provides key insights into aluminosilicate materials affected by unpaired electron(s).

Název v anglickém jazyce

Spying on Fe ions and their role in modified aluminosilicates during the sorption of anions using solid-state NMR spectroscopy

Popis výsledku anglicky

Post-synthetic modifications of zeolites enable their possible use as adsorbents in separation and purification processes. Here, we present a multinuclear (29Si, 27Al, 31P) magnetic resonance study of solid samples of zeolite A (LTA) and hydroxysodalite (HS), their post-synthetic modification using FeSO4 solution, and the results of their analysis by NMR after the anion (PO43-) adsorption process. High-resolution 29Si and 27Al MAS NMR spectra provide valuable structural information on the oxidation of Fe2+ ions to Fe3+ species during the modification process, whereas 27Al 3Q/MAS solid-state NMR spectra of LTA and HS unveil a simultaneous dealumination process characteristic of acid leaching in aluminosilicate systems. 31P solid-state NMR spectra of LTA and HS, collected at “very-fast” spinning speed, revealed a dramatic change in the chemical shift values for the phosphates present, directly characteristic of FePO4 in the case of LTA, and phosphates of alkali and/or alkaline earth metals in the case of HS. Moreover, density functional theoretical (DFT) computations provide satisfactory agreement with the obtained 27Al and 29Si experimental data. This work demonstrates possible NMR approaches to the characterization of complex framework materials and provides key insights into aluminosilicate materials affected by unpaired electron(s).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20101 - Civil engineering

Projekt

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

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Microporous and Mesoporous Materials

ISSN

1387-1811

e-ISSN

—

Svazek periodika

241

Číslo periodika v rámci svazku

15 March

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

115-122

Kód UT WoS článku

000395842200015

EID výsledku v databázi Scopus

2-s2.0-85009499845