Water-catalysis in the gas phase reaction of dithioformic acid with hydroxyl radical: global reaction route mapping of oxidative pathways for hydrogen abstraction-Reference-Cited by-同舟云学术

Water-catalysis in the gas phase reaction of dithioformic acid with hydroxyl radical: global reaction route mapping of oxidative pathways for hydrogen abstraction

Published:2015 Issue:63 Volume:5 Page:50989-50998
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Kaur Gurpreet¹²³⁴⁵,Vikas Vikas¹²³⁴⁵^ORCID

Affiliation:

1. Quantum Chemistry Group

2. Department of Chemistry & Centre of Advanced Studies in Chemistry

3. Panjab University

4. Chandigarh – 160014

5. India

Abstract

Through the advanced quantum mechanical computations, this work investigates the catalytic-role of single water-molecule during hydrogen abstraction, in dithioformic acid, by the OH radical.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA08741D

Reference38 articles.

1. Water Catalysis of a Radical-Molecule Gas-Phase Reaction

2. Single water-molecule catalysis in the glyoxal+OH reaction under tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic study

3. Water-catalyzed gas-phase reaction of formic acid with hydroxyl radical: A computational investigation

4. Exploring Water Catalysis in the Reaction of Thioformic Acid with Hydroxyl Radical: A Global Reaction Route Mapping Perspective

5. The mechanism of tautomerisation and geometric isomerisation in thioformic acid and its water complexes: exploring chemical pathways for water migration

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