Residual dipolar couplings as a tool for structural analysis of ionic liquids.

Chem Commun (Camb)

Departamento de Química Fundamental, Centro de Ciências Exatas e da Natureza (CCEN), Universidade Federal de Pernambuco, Avenida Jornalista Fernandes s/n. Cidade Universitária, Recife, Pernambuco 50740-560, Brazil.

Published: April 2023

An acrylonitrile/dimethylacrylamide cross-linked polymer could be swollen in different imidazolium ionic liquids. Mechanical compression of the obtained polymer gels inside an NMR tube allowed the measurement of residual dipolar couplings. Conformational analysis of the 1-methyl-3-butyl-imidazolium (BMIM) cation could be performed by including the measured RDCs as restraints in time-averaged molecular dynamics.

Download full-text PDF

Source
http://dx.doi.org/10.1039/d3cc00929gDOI Listing

Publication Analysis

Top Keywords

residual dipolar
8
dipolar couplings
8
ionic liquids
8
couplings tool
4
tool structural
4
structural analysis
4
analysis ionic
4
liquids acrylonitrile/dimethylacrylamide
4
acrylonitrile/dimethylacrylamide cross-linked
4
cross-linked polymer
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!