Selected ion flow tube studies of the reactions of H3O+, NO+, O2+• and O-• ions with alkanes in He and N2 carrier gases at different temperatures

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00599135" target="_blank" >RIV/61388955:_____/24:00599135 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/24:10492099

Výsledek na webu

<a href="https://hdl.handle.net/11104/0356671" target="_blank" >https://hdl.handle.net/11104/0356671</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d4cp03105a" target="_blank" >10.1039/d4cp03105a</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Selected ion flow tube studies of the reactions of H3O+, NO+, O2+• and O-• ions with alkanes in He and N2 carrier gases at different temperatures

Popis výsledku v původním jazyce

The kinetics of the reactions of H3O+, NO+, O2+• and O-• with n-hexane, 3-methylpentane, 2,5-dimethylhexane and 2,3-dimethylheptane were studied experimentally under several selected ion flow tube (SIFT) conditions: in a Profile 3 instrument in He and N2 carrier gases at 300 K and in the Voice200 instrument in N2 carrier gas at 300 and 393 K - where the effect of the extraction lens voltage was also assessed. It was found that H3O+ ions react by association forming adduct ions along with dissociative reactions forming [M-H]+ product ions at reaction rates which are slower than collisional. NO+ ions react via hydride ion transfer. O2+• ions react via charge transfer followed by fragmentation that is highly sensitive to the temperature and the ion extraction lens voltage. Negative ions did not react, except for the O-• ion which reacted via an associative detachment process. Computational analysis using Density Functional Theory (DFT) provided insights into the exothermicities and exergodicities of these reactions. A notable result is that proton transfer from H3O+ does not take place despite its potential exothermicity. This is important for the interpretation of proton transfer reaction (PTR) and SIFT mass spectrometry data.

Název v anglickém jazyce

Selected ion flow tube studies of the reactions of H3O+, NO+, O2+• and O-• ions with alkanes in He and N2 carrier gases at different temperatures

Popis výsledku anglicky

The kinetics of the reactions of H3O+, NO+, O2+• and O-• with n-hexane, 3-methylpentane, 2,5-dimethylhexane and 2,3-dimethylheptane were studied experimentally under several selected ion flow tube (SIFT) conditions: in a Profile 3 instrument in He and N2 carrier gases at 300 K and in the Voice200 instrument in N2 carrier gas at 300 and 393 K - where the effect of the extraction lens voltage was also assessed. It was found that H3O+ ions react by association forming adduct ions along with dissociative reactions forming [M-H]+ product ions at reaction rates which are slower than collisional. NO+ ions react via hydride ion transfer. O2+• ions react via charge transfer followed by fragmentation that is highly sensitive to the temperature and the ion extraction lens voltage. Negative ions did not react, except for the O-• ion which reacted via an associative detachment process. Computational analysis using Density Functional Theory (DFT) provided insights into the exothermicities and exergodicities of these reactions. A notable result is that proton transfer from H3O+ does not take place despite its potential exothermicity. This is important for the interpretation of proton transfer reaction (PTR) and SIFT mass spectrometry data.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA21-25486S" target="_blank" >GA21-25486S: Hmotnostní spektrometrie v proudové a driftové trubici s vybranými ionty s negativními ionty a dusíkem jako nosným plynem</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

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

1463-9084

Svazek periodika

26

Číslo periodika v rámci svazku

41

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

9

Strana od-do

26585-26593

Kód UT WoS článku

001335532900001

EID výsledku v databázi Scopus

2-s2.0-85206483477