Insights on hydrogen bond assisted solvent selection in certain acid-base heterogeneous catalysis through acceptor and donor numbers

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F21%3A10436185" target="_blank" >RIV/00216208:11320/21:10436185 - isvavai.cz</a>

Výsledek na webu

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

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d0cy02011g" target="_blank" >10.1039/d0cy02011g</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Insights on hydrogen bond assisted solvent selection in certain acid-base heterogeneous catalysis through acceptor and donor numbers

Popis výsledku v původním jazyce

The choice of an appropriate solvent in heterogeneous catalysis is not always straightforward but it affects significantly the activity and selectivity in organic reactions. Here we show that the acceptor number (AN) and donor number (DN) make the selection of solvent robust and competitive compared to traditional solvent properties such as dielectric constant, polarity and nature. The conversion rates measured in selected acid or base-catalysed reactions in the liquid phase (alkylation, acylation, esterification, condensation) consistently vary with the AN or DN of the solvents in which they are achieved. The impact of the AN and DN in these reactions was understood by addressing the interactions between the catalyst, solvents, and reactants through spectroscopic (FTIR and UV-vis) techniques and DFT simulations. The association between the AN and DN, and the catalytic performance is shown to proceed via the strength of the non-covalent hydrogen bond established between the partners of the reaction. The strength of hydrogen bonds of the solvent with the catalyst influences the acid sites of the catalyst directly and by this means plays a crucial role during the reaction. These findings build strong fundamental scientific information on the solvent effects in heterogeneous catalysis.

Název v anglickém jazyce

Insights on hydrogen bond assisted solvent selection in certain acid-base heterogeneous catalysis through acceptor and donor numbers

Popis výsledku anglicky

The choice of an appropriate solvent in heterogeneous catalysis is not always straightforward but it affects significantly the activity and selectivity in organic reactions. Here we show that the acceptor number (AN) and donor number (DN) make the selection of solvent robust and competitive compared to traditional solvent properties such as dielectric constant, polarity and nature. The conversion rates measured in selected acid or base-catalysed reactions in the liquid phase (alkylation, acylation, esterification, condensation) consistently vary with the AN or DN of the solvents in which they are achieved. The impact of the AN and DN in these reactions was understood by addressing the interactions between the catalyst, solvents, and reactants through spectroscopic (FTIR and UV-vis) techniques and DFT simulations. The association between the AN and DN, and the catalytic performance is shown to proceed via the strength of the non-covalent hydrogen bond established between the partners of the reaction. The strength of hydrogen bonds of the solvent with the catalyst influences the acid sites of the catalyst directly and by this means plays a crucial role during the reaction. These findings build strong fundamental scientific information on the solvent effects in heterogeneous catalysis.

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

2021

Kód důvěrnosti údajů

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

Název periodika

Catalysis: Science and Technology

ISSN

2044-4753

e-ISSN

—

Svazek periodika

11

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

1345-1357

Kód UT WoS článku

000624503000010

EID výsledku v databázi Scopus

2-s2.0-85102040363