Structure-Reactivity Insights on the Alkaline Hydrolysis of Organophosphates: Non-Leaving and Leaving Group Effects in a Bilinear Brønsted-Like Relationship.
Chemphyschem
; 24(6): e202200612, 2023 Mar 14.
Article
em En
| MEDLINE
| ID: mdl-36326485
The high toxicity of organophosphates, along with its wide use as agrochemicals and chemical warfare, urges efficient degradation methods. Alkaline hydrolysis stands out, which is strongly structure-dependent. The alkaline hydrolysis of various organophosphates is described using a bilinear variation of the Brønsted equation, which evaluates concomitantly the effect of the leaving and non-leaving groups. Over 50 reactions were successfully correlated linearly and the contribution of the usually underestimated non-leaving group seems to be as important as the leaving group. The hetero atom effect (P=O and P=S) seems to vary the contribution of these groups. This concise understanding of the structure-reactivity relationship allows to predict optimal neutralization processes and is key for chemical security, saving time, resources and avoiding unnecessary manipulation of toxic chemicals.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chemphyschem
Assunto da revista:
BIOFISICA
/
QUIMICA
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Alemanha