Pyruvic acid proton and hydrogen transfer reactions in clusters

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00500334" target="_blank" >RIV/61388955:_____/19:00500334 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0292427" target="_blank" >http://hdl.handle.net/11104/0292427</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/C8CP07008C" target="_blank" >10.1039/C8CP07008C</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Pyruvic acid proton and hydrogen transfer reactions in clusters

Popis výsledku v původním jazyce

We investigate ion chemistry in pyruvic acid (PA) clusters in a molecular beam experiment. We generate two types of species, isolated (PA)N clusters and clusters deposited on large water clusters (ice nanoparticles) (PA)N·(H2O)M, [M with combining macron] ≈ 390, and follow their chemistry after either 70 eV electron ionization (EI) or 193 nm UV photoionization (PI). In the (PA)N clusters, where the ionization starts with a PA molecule, both the EI and PI yield essentially the same ions: nominally (PA)nHk+, k = 1,2,3,…. Based on quantum chemical calculations, we suggest that several proton or hydrogen transfer reactions take place within a reaction cascade, with the hydrogen atoms stemming from other PA molecules. When a proton or hydrogen atom is transferred, the resulting [PA–H]˙ radical decomposes to CH3CO˙ and CO2 in an exothermic reaction. On the other hand, the EI and PI show entirely different patterns on nanoices: the EI proceeds mostly via water ionization yielding protonated water clusters (H2O)mH+ and, in most cases, PA molecules evaporate. The PI of pyruvic acid on nanoices exhibits essentially the same ion-chemistry as the ionization of (PA)N clusters, demonstrating also that the individually adsorbed PA molecules coagulate on nanoices. Our results show that ionized pyruvic acid might act both as donor and acceptor of protons or hydrogen atoms, with the proton/hydrogen donation being irreversible due to decomposition of the [PA–H]˙ radical.n

Název v anglickém jazyce

Pyruvic acid proton and hydrogen transfer reactions in clusters

Popis výsledku anglicky

We investigate ion chemistry in pyruvic acid (PA) clusters in a molecular beam experiment. We generate two types of species, isolated (PA)N clusters and clusters deposited on large water clusters (ice nanoparticles) (PA)N·(H2O)M, [M with combining macron] ≈ 390, and follow their chemistry after either 70 eV electron ionization (EI) or 193 nm UV photoionization (PI). In the (PA)N clusters, where the ionization starts with a PA molecule, both the EI and PI yield essentially the same ions: nominally (PA)nHk+, k = 1,2,3,…. Based on quantum chemical calculations, we suggest that several proton or hydrogen transfer reactions take place within a reaction cascade, with the hydrogen atoms stemming from other PA molecules. When a proton or hydrogen atom is transferred, the resulting [PA–H]˙ radical decomposes to CH3CO˙ and CO2 in an exothermic reaction. On the other hand, the EI and PI show entirely different patterns on nanoices: the EI proceeds mostly via water ionization yielding protonated water clusters (H2O)mH+ and, in most cases, PA molecules evaporate. The PI of pyruvic acid on nanoices exhibits essentially the same ion-chemistry as the ionization of (PA)N clusters, demonstrating also that the individually adsorbed PA molecules coagulate on nanoices. Our results show that ionized pyruvic acid might act both as donor and acceptor of protons or hydrogen atoms, with the proton/hydrogen donation being irreversible due to decomposition of the [PA–H]˙ radical.n

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

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

—

Svazek periodika

21

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

8221-8227

Kód UT WoS článku

000465603200040

EID výsledku v databázi Scopus

2-s2.0-85064968442