Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen-Reference-Cited by-同舟云学术

Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen

Published:2024 Issue: Volume:251 Page:523-549
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Balucani Nadia¹^ORCID,Vanuzzo Gianmarco¹,Recio Pedro¹^ORCID,Caracciolo Adriana¹,Rosi Marzio²^ORCID,Cavallotti Carlo³^ORCID,Baggioli Alberto³^ORCID,Della Libera Andrea³,Casavecchia Piergiorgio¹^ORCID

Affiliation:

1. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Perugia 06123, Italy

2. Dipartimento di Ingegneria Civile e Ambientale, Università degli Studi di Perugia, Perugia 06125, Italy

3. Politecnico di Milano, Dipartimento di Chimica, Materiali e Ingegneria Chimica, Milano 20131, Italy

Abstract

Crossed beam experiments and theoretical results on the O(3P) + toluene reaction elucidate the reaction mechanism and product branching fractions.

Funder

Ministero dell’Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/FD/D3FD00181D

Reference66 articles.

1. Dynamics of the O(3P) + C2H4 Reaction: Identification of Five Primary Product Channels (Vinoxy, Acetyl, Methyl, Methylene, and Ketene) and Branching Ratios by the Crossed Molecular Beam Technique with Soft Electron Ionization

2. Probing the dynamics of polyatomic multichannel elementary reactions by crossed molecular beam experiments with soft electron-ionization mass spectrometric detection

3. Intersystem crossing and dynamics in O(3P) + C2H4 multichannel reaction: Experiment validates theory

4. Products of the Benzene + O(3P) Reaction

5. Reaction dynamics of oxygen atoms with unsaturated hydrocarbons from crossed molecular beam studies: primary products, branching ratios and role of intersystem crossing

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4. A Computational Strategy for the Theoretical Investigation of the Reactions Between Atomic Oxygen and Aromatic Compounds;Lecture Notes in Computer Science;2024