Theoretical study of chloride complexes with hybrid macrocycles

Author:

Silva Éder Henrique da1234,Orenha Renato Pereira1234ORCID,Muñoz-Castro Alvaro56789ORCID,Caramori Giovanni Finoto1011124ORCID,Colaço Matheus Cachoeira1011124ORCID,Silva Graziele Capatto Guerra1234,Parreira Renato Luis Tame1234ORCID

Affiliation:

1. Núcleo de Pesquisas em Ciências Exatas e Tecnológicas

2. Universidade de Franca

3. Franca

4. Brazil

5. Laboratorio de Química Inorgánica y Materiales Moleculares

6. Facultad de Ingenieria

7. Universidad Autonoma de Chile

8. San Miguel

9. Chile

10. Departamento de Química

11. Universidade Federal de Santa Catarina

12. Florianópolis

Abstract

Macrocycle receptors are investigated from DFT calculations to simultaneously recognize two Cl anions, which show several applications in the environment.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fondo Nacional de Desarrollo Científico y Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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