From skin sensitizers to wastewater: the unknown photo-deactivation process of low-lying excited states of isothiazolinones. A non-adiabatic dynamics investigation

Author:

de Araújo Bruno Bercini1ORCID,Gonçalves Paulo Fernando Bruno1ORCID

Affiliation:

1. Grupo de Química Teórica, Universidade Federal do Rio Grande do Sul – Instituto de Química, Avenida Bento Gonçalves 9500, CP 15003, CEP 91501970, Porto Alegre, Brazil

Abstract

Isothiazolinones are a class of heterocyclic compounds extensively employed in a variety of applications, including as biocides in cosmetics, detergents, and paints, as well as in industrial wastewater treatment.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

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