NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00559118" target="_blank" >RIV/61388955:_____/22:00559118 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61389013:_____/22:00559118 RIV/00216208:11320/22:10453262

Výsledek na webu

<a href="https://hdl.handle.net/11104/0332541" target="_blank" >https://hdl.handle.net/11104/0332541</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.2c02496" target="_blank" >10.1021/acs.jpcc.2c02496</a>

Jazyk výsledku

angličtina

Název v původním jazyce

NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites

Popis výsledku v původním jazyce

Zeolites are crystalline microporous aluminosilicates of paramount importance. The siting of cations balancing the negative charge of framework Al affects the catalytic and sorption properties of cation-exchanged zeolites. The siting of Na+ cations in dehydrated Si-rich ferrierite zeolites is investigated by Na-23 (ultra)-high-field (MQ)MAS NMR spectroscopy together with DFT to obtain the Na+ siting and the local structure of nine Na+ cationic sites formed by two 6-rings and two 8-rings having one Al atom located in different framework T sites. The occupation of the Na+ cationic sites is not controlled by their relative energies but by the kinetics of the Na+ ion-exchange. Na-23 solid-state NMR spectroscopy alone can determine the ring forming the Na(+)site but not which T site is occupied by Al in that ring. The developed methodology represents a highly promising tool for the analysis of the Na+ arrangements in zeolites and other crystalline matrices.

Název v anglickém jazyce

NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites

Popis výsledku anglicky

Zeolites are crystalline microporous aluminosilicates of paramount importance. The siting of cations balancing the negative charge of framework Al affects the catalytic and sorption properties of cation-exchanged zeolites. The siting of Na+ cations in dehydrated Si-rich ferrierite zeolites is investigated by Na-23 (ultra)-high-field (MQ)MAS NMR spectroscopy together with DFT to obtain the Na+ siting and the local structure of nine Na+ cationic sites formed by two 6-rings and two 8-rings having one Al atom located in different framework T sites. The occupation of the Na+ cationic sites is not controlled by their relative energies but by the kinetics of the Na+ ion-exchange. Na-23 solid-state NMR spectroscopy alone can determine the ring forming the Na(+)site but not which T site is occupied by Al in that ring. The developed methodology represents a highly promising tool for the analysis of the Na+ arrangements in zeolites and other crystalline matrices.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA19-05259S" target="_blank" >GA19-05259S: Kombinace pokročilé NMR spektroskopiie pevného stavu ultra-širokých čar s XRPD a výpočetní chemie pro zkoumaní organo-kovových a mřížkových materiálů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

1932-7455

Svazek periodika

126

Číslo periodika v rámci svazku

26

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

17

Strana od-do

10686-10702

Kód UT WoS článku

000820053900001

EID výsledku v databázi Scopus

2-s2.0-85134482696