How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation-Reference-Cited by-同舟云学术

How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation

Published:2017 Issue:36 Volume:19 Page:24696-24705
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ortolan Alexandre O.¹²³⁴⁵^ORCID,Caramori Giovanni F.¹²³⁴⁵^ORCID,Matthias Bickelhaupt F.⁶⁷⁸⁹¹⁰^ORCID,Parreira Renato L. T.¹¹¹²¹³⁵^ORCID,Muñoz-Castro Alvaro¹⁴¹⁵¹⁶¹⁷¹⁸^ORCID,Kar Tapas¹⁹²⁰²¹²²

Affiliation:

1. Departamento de Química

2. Universidade Federal de Santa Catarina

3. Campus Universitário Trindade

4. Florianópolis

5. Brazil

6. Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling (ACMM)

7. Vrije Universiteit Amsterdam

8. 1081 HV Amsterdam

9. The Netherlands

10. Institute of Molecules and Materials

11. Núcleo de Pesquisa em Ciências Exatas e Tecnológicas

12. Universidade de Franca

13. Franca

14. Lab. de Química Inorgánica y Materiales Moleculares

15. Universidad Autonoma de Chile

16. Santiago

17. Chile

18. Doctorado en Fisicoquímica Molecular

19. Department of Chemistry and Biochemistry

20. Utah State University

21. Logan

22. USA

Abstract

The nature of bridging heteroatoms in a heterocalixarene structure has a crucial role in anion recognition.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

São Paulo Research Foundation

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP03925E

Reference104 articles.

1. Hydrogen Bonding without Borders: An Atoms-in-Molecules Perspective

2. S. Scheiner , Hydrogen Bonding: A Theoretical Perspective, Oxford University Press, Oxford, 1st edn, 1997

3. Hydrogen Bridges in Crystal Engineering: Interactions without Borders

4. S. J. Grabowski , Hydrogen Bonding—New Insights, Springer, Netherlands, 2006

5. G. A. Jeffrey , An Introduction to Hydrogen Bonding, Topics in Physical Chemistry, Oxford University Press, 1st edn, 1997

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