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

Author(s)

Bernardino, Kalil ^[1] ; Swiergiel, Jolanta ^[2] ; Jadzyn, Jan ^[2] ; Bouteiller, Laurent ^[3] ; de Moura, Andre Farias ^[4]

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

• 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