The new threading system 2-benzyl-5,6-dimethyl-1H-benzo[d]imidazolium – dibenzo-24-crown-8: a model for Monte Carlo calculations incorporating an anion for the first time in threaded structures

A new [2]pseudorotaxane containing a benzimidazolium hydrogen-bonding station for a dibenzo-24-crown-8 (DB24C8) macrocycle is described. The structure of the [2]pseudorotaxane formed is established by super(1)H NMR spectroscopy, 2D NOESY and a Monte Carlo protocol (including an anion for the first t...

Full description

Saved in:
Bibliographic Details
Published in:RSC advances 2014-01, Vol.4 (36), p.18835-18841
Main Authors: Ghosh, Sabari, Chaudhuri, Tandrima, Mukhopadhyay, Chhanda
Format: Article
Language:English
Subjects:
Anions
Computer simulation
Mathematical models
Monte Carlo methods
NMR spectroscopy
Stations
Threaded
Two dimensional
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:A new [2]pseudorotaxane containing a benzimidazolium hydrogen-bonding station for a dibenzo-24-crown-8 (DB24C8) macrocycle is described. The structure of the [2]pseudorotaxane formed is established by super(1)H NMR spectroscopy, 2D NOESY and a Monte Carlo protocol (including an anion for the first time).
ISSN:2046-2069
2046-2069
DOI:10.1039/c4ra00225c