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Effect of spin catalysis in H2S oxidation: A quantum chemical insight

Paper ID Volume ID Publish Year Pages File Format Full-Text
51641 46849 2010 6 PDF Available
Title
Effect of spin catalysis in H2S oxidation: A quantum chemical insight
Abstract

Reactions of H2S with quinones and a model carbonic cluster, mimicking an active centre on the surface of active carbon have been quantum chemically simulated. Energetic parameters of elementary steps have been computed. An impact of spin state of the system on the reaction pathway has been formulated, demonstrating that the processes studied belong to the realm of spin chemistry. It is shown that the carbon matrix acts as source of spin density and, thus, can itself promote the reaction of sulphidic radicals generation, which are usually spin-forbidden.

Keywords
Sulfur compound removal; Hydrosulfide; Active carbon; Quinone; Spin chemistry
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Effect of spin catalysis in H2S oxidation: A quantum chemical insight
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Communications - Volume 11, Issue 5, 25 January 2010, Pages 340–345
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us