Residual dipolar couplings as a tool for structural analysis of ionic liquids.
Chem Commun (Camb)
; 59(32): 4806-4809, 2023 Apr 18.
Article
in En
| MEDLINE
| ID: mdl-37005909
ABSTRACT
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.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Chem Commun (Camb)
Journal subject:
QUIMICA
Year:
2023
Document type:
Article
Affiliation country:
Brazil