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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Bulkiness as a design element to increase the rigidity and macrodipole of supramolecular polymers

Full text
Author(s):
Bernardino, Kalil [1] ; Swiergiel, Jolanta [2] ; Jadzyn, Jan [2] ; Bouteiller, Laurent [3] ; de Moura, Andre Farias [4]
Total Authors: 5
Affiliation:
[1] Univ Sao Paulo, Inst Chem, Sao Paulo, SP - Brazil
[2] Polish Acad Sci, Inst Mol Phys, Poznan - Poland
[3] Sorbonne Univ, CNRS, IPCM, Equipe Chim Polymeres, Paris - France
[4] Univ Fed Sao Carlos, Dept Chem, Sao Carlos, SP - Brazil
Total Affiliations: 4
Document type: Journal article
Source: JOURNAL OF MOLECULAR LIQUIDS; v. 286, JUL 15 2019.
Web of Science Citations: 0
Abstract

N,N'-dialkyl ureas in non-polar solvents self-assemble as hydrogen bonded chains. Infrared and dielectric spectroscopy show that more sterically crowded monomers form shorter chains but also larger macrodipoles. This unexpected effect is due to the enhanced rigidity of the bulky assemblies, as confirmed by molecular dynamics simulations. (C) 2019 Elsevier B.V. All rights reserved. (AU)

FAPESP's process: 17/12063-8 - Non-equilibrium molecular dynamics of ionic liquids
Grantee:Kalil Bernardino
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 12/15147-4 - Computational study of thermodynamic association of self­-assembled systems
Grantee:André Farias de Moura
Support Opportunities: Regular Research Grants