What is the driving force behind molecular triangles and their guests? A quantum chemical perspective about host–guest interactions-Reference-Cited by-同舟云学术

What is the driving force behind molecular triangles and their guests? A quantum chemical perspective about host–guest interactions

Published:2020 Issue:34 Volume:22 Page:19213-19222
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Nagurniak Glaucio R.¹²³⁴⁵^ORCID,Piotrowski Maurício J.⁶⁷⁸⁹⁵^ORCID,Muñoz-Castro Àlvaro¹⁰¹¹¹²¹³¹⁴^ORCID,Cascaldi João B. S.¹⁵¹⁶⁵,Parreira Renato L. T.¹⁵¹⁶⁵^ORCID,Caramori Giovanni F.¹²¹⁷¹⁸⁵^ORCID

Affiliation:

1. Departamento de Química

2. Universidade Federal de Santa Catarina

3. Campus Blumenau

4. Blumenau

5. Brazil

6. Departamento de Física

7. Universidade Federal de Pelotas

8. Campus Universitário Capão do Leão

9. CEP 96160-000 Pelotas

10. Lab. de Química Inorgánica y Materiales Moleculares

11. Universidad Autonoma de Chile

12. Llano Subercaceaux 2801

13. San Miguel

14. Chile

15. Núcleo de Pesquisas em Ciências Exatas e Tecnológicas

16. Franca

17. Campus Universitário Trindade

18. 88040-900 Florianópolis

Abstract

The physical nature of host–guest interactions occurring between molecular triangles and linear anions was explored using DFT calculations combined with energy decomposition analyses, nuclear independent chemical shift, and non-covalent interactions.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação de Amparo à Pesquisa e Inovação do Estado de Santa Catarina

Fundação de Amparo à Pesquisa do Estado do Rio Grande do Sul

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01821J