A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F23%3A00573657" target="_blank" >RIV/61388955:_____/23:00573657 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11320/23:10468489

Výsledek na webu

<a href="https://hdl.handle.net/11104/0344048" target="_blank" >https://hdl.handle.net/11104/0344048</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/D3CP02123H" target="_blank" >10.1039/D3CP02123H</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol

Popis výsledku v původním jazyce

Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) is a soft ionisation technique based on gas phase ion–molecule reaction kinetics for the quantification of trace amounts of volatile organic compound vapours. One of its previous limitations is difficulty in resolving isomers, although this can now be overcome using different reactivities of several available reagent cations and anions (H3O+, NO+, O2+˙, O−˙, OH−, O2−˙, NO2−, NO3−). Thus, the ion–molecule reactions of these eight ions with all isomers of the aromatic compounds cymene, cresol and ethylphenol were studied to explore the possibility of their immediate identification and quantification without chromatographic separation. Rate coefficients and product ion branching ratios determined experimentally for the 72 reactions are reported. DFT calculations of their energetics confirmed the feasibility of the suggested reaction pathways. All positive ion reactions proceeded fast but largely did not discriminate between the isomers. The reactivity of the anions was much more varied. In all cases, OH− reacts by proton transfer forming (M–H), NO2− and NO3− were unreactive. The differences observed for product ion branching ratios can be used to identify isomers approximately.n

Název v anglickém jazyce

A SIFT-MS study of positive and negative ion chemistry of the ortho-, meta- and para-isomers of cymene, cresol, and ethylphenol

Popis výsledku anglicky

Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) is a soft ionisation technique based on gas phase ion–molecule reaction kinetics for the quantification of trace amounts of volatile organic compound vapours. One of its previous limitations is difficulty in resolving isomers, although this can now be overcome using different reactivities of several available reagent cations and anions (H3O+, NO+, O2+˙, O−˙, OH−, O2−˙, NO2−, NO3−). Thus, the ion–molecule reactions of these eight ions with all isomers of the aromatic compounds cymene, cresol and ethylphenol were studied to explore the possibility of their immediate identification and quantification without chromatographic separation. Rate coefficients and product ion branching ratios determined experimentally for the 72 reactions are reported. DFT calculations of their energetics confirmed the feasibility of the suggested reaction pathways. All positive ion reactions proceeded fast but largely did not discriminate between the isomers. The reactivity of the anions was much more varied. In all cases, OH− reacts by proton transfer forming (M–H), NO2− and NO3− were unreactive. The differences observed for product ion branching ratios can be used to identify isomers approximately.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/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

2023

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

25

Číslo periodika v rámci svazku

27

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

13

Strana od-do

17815-17827

Kód UT WoS článku

001018589600001

EID výsledku v databázi Scopus

2-s2.0-85164284482