In Situ Single-Crystal X-ray Diffraction Studies of an Anomalous Nitric Oxide Adsorption in a Partially Activated Metal–Organic Framework

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F25%3A10501613" target="_blank" >RIV/00216208:11310/25:10501613 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=sR_6jt62xX" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=sR_6jt62xX</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jacs.5c10395" target="_blank" >10.1021/jacs.5c10395</a>

Jazyk výsledku

angličtina

Název v původním jazyce

In Situ Single-Crystal X-ray Diffraction Studies of an Anomalous Nitric Oxide Adsorption in a Partially Activated Metal–Organic Framework

Popis výsledku v původním jazyce

Metal-organic frameworks (MOFs), with their high porosities and surface areas, show great utility in the field of gas adsorption. To unlock this porosity, MOFs are generally fully activated by removing all adsorbed guests using high temperatures and low pressures. However, this is energy intensive and can be unfeasible if the MOF is part of a composite, where the maximum temperature of the composite is below the activation temperature. To investigate the effect of activation temperature on adsorption, a series of in situ single-crystal X-ray diffraction (scXRD) studies were performed on Ni-MOF-74 loaded with the gas nitric oxide (NO) under different conditions. These experiments uncovered anomalous adsorption results where partially activated samples adsorb ~ 14% more NO per framework material than did the fully activated sample. The scXRD experiments revealed a new NO binding site that is only present if the open metal sites are partially occupied by water molecules. To shed more light on the respective binding of the two different NO sites in Ni-MOF-74, these were studied in situ under different treatment conditions, such as the exposure to vacuum at different temperatures. This study yields insights into the nature of binding sites in MOFs, how these are affected by activation, and helps to pave the way for the improved design of processing conditions.

Název v anglickém jazyce

In Situ Single-Crystal X-ray Diffraction Studies of an Anomalous Nitric Oxide Adsorption in a Partially Activated Metal–Organic Framework

Popis výsledku anglicky

Metal-organic frameworks (MOFs), with their high porosities and surface areas, show great utility in the field of gas adsorption. To unlock this porosity, MOFs are generally fully activated by removing all adsorbed guests using high temperatures and low pressures. However, this is energy intensive and can be unfeasible if the MOF is part of a composite, where the maximum temperature of the composite is below the activation temperature. To investigate the effect of activation temperature on adsorption, a series of in situ single-crystal X-ray diffraction (scXRD) studies were performed on Ni-MOF-74 loaded with the gas nitric oxide (NO) under different conditions. These experiments uncovered anomalous adsorption results where partially activated samples adsorb ~ 14% more NO per framework material than did the fully activated sample. The scXRD experiments revealed a new NO binding site that is only present if the open metal sites are partially occupied by water molecules. To shed more light on the respective binding of the two different NO sites in Ni-MOF-74, these were studied in situ under different treatment conditions, such as the exposure to vacuum at different temperatures. This study yields insights into the nature of binding sites in MOFs, how these are affected by activation, and helps to pave the way for the improved design of processing conditions.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Journal of the American Chemical Society

ISSN

0002-7863

e-ISSN

1520-5126

Svazek periodika

147

Číslo periodika v rámci svazku

34

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

31260-31269

Kód UT WoS článku

001550190100001

EID výsledku v databázi Scopus

2-s2.0-105014225754