Residual dipolar couplings as a tool for structural analysis of ionic liquids.
Chem Commun (Camb)
; 59(32): 4806-4809, 2023 Apr 18.
Article
en 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.
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Base de datos:
MEDLINE
Idioma:
En
Revista:
Chem Commun (Camb)
Asunto de la revista:
QUIMICA
Año:
2023
Tipo del documento:
Article