Proton Transfer Reactions between Methanol and Formic Acid Deposited on Free ArN Nanoparticles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00507767" target="_blank" >RIV/61388955:_____/19:00507767 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0298737" target="_blank" >http://hdl.handle.net/11104/0298737</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpca.9b05372" target="_blank" >10.1021/acs.jpca.9b05372</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Proton Transfer Reactions between Methanol and Formic Acid Deposited on Free ArN Nanoparticles

Popis výsledku v původním jazyce

We have sequentially picked up two astrochemically relevant Brønsted acids (methanol and formic acid) on the surface of argon nanoparticles acting as a cold support. Photoionization and electron ionization yield (HCOOH)xH+, (CH3OH)xH+, and mixed protonated clusters. Experiments with perdeuterated methanol CD3OD demonstrate notable proton transfer (PT) to formic acid acting as a proton acceptor in addition to the PT from formic acid which is, perhaps, a more intuitive one. We, therefore, for the first time observed reactions between two different complex molecules adsorbed individually on argon nanoparticles. The experimental results are compared with state-of-the-art quantum chemistry calculations, showing that both CH3OH•+ and HCOOH•+ radical cations resulting from ionization can act as efficient proton donors and neutral CH3OH and HCOOH as proton acceptors. According to the theoretical calculations, the C–H bond cleavage in the radical cation should be more favorable than the O–H bond cleavage. Both channels are observed and distinguished in the experiments with CD3OH and CH3OD. Our detailed mechanism of formation of the CH3O• and CH2OH• radicals contributes to understanding of astrochemistry in the protostellar medium.

Název v anglickém jazyce

Proton Transfer Reactions between Methanol and Formic Acid Deposited on Free ArN Nanoparticles

Popis výsledku anglicky

We have sequentially picked up two astrochemically relevant Brønsted acids (methanol and formic acid) on the surface of argon nanoparticles acting as a cold support. Photoionization and electron ionization yield (HCOOH)xH+, (CH3OH)xH+, and mixed protonated clusters. Experiments with perdeuterated methanol CD3OD demonstrate notable proton transfer (PT) to formic acid acting as a proton acceptor in addition to the PT from formic acid which is, perhaps, a more intuitive one. We, therefore, for the first time observed reactions between two different complex molecules adsorbed individually on argon nanoparticles. The experimental results are compared with state-of-the-art quantum chemistry calculations, showing that both CH3OH•+ and HCOOH•+ radical cations resulting from ionization can act as efficient proton donors and neutral CH3OH and HCOOH as proton acceptors. According to the theoretical calculations, the C–H bond cleavage in the radical cation should be more favorable than the O–H bond cleavage. Both channels are observed and distinguished in the experiments with CD3OH and CH3OD. Our detailed mechanism of formation of the CH3O• and CH2OH• radicals contributes to understanding of astrochemistry in the protostellar medium.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA17-04068S" target="_blank" >GA17-04068S: Molekulové klastry jako nano-reaktory pro chemii řízenou fotony a elektrony</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry A

ISSN

1089-5639

e-ISSN

—

Svazek periodika

123

Číslo periodika v rámci svazku

33

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

7201-7209

Kód UT WoS článku

000482545500003

EID výsledku v databázi Scopus

2-s2.0-85070916065