Jump to main content
Jump to site search

Issue 84, 2016
Previous Article Next Article

A PGSE NMR approach to the characterization of single and multi-site halogen-bonded adducts in solution

Author affiliations

Abstract

We demonstrate here that the Pulsed field Gradient Spin Echo (PGSE) NMR diffusion technique can be effectively used as a complementary tool for the characterization of mono- and multi-site intermolecular halogen bonding (XB) in solution. The main advantage of this technique is that it provides the possibility of unambiguously determining the stoichiometry of the supramolecular adduct, information that is particularly important when multi-site molecular systems are studied. As an example, PGSE NMR measurements in chloroform indicate that hexamethylenetetramine (HMTA), a potentially four-site XB acceptor, actually exploits only two sites for the interaction with the XB donor N-bromosuccinimide (NBS), leaving the other two nitrogen sites unoccupied. Charge displacement calculations suggest that this is due also to the anti-cooperativity of the XB interaction between HMTA and NBS.

Graphical abstract: A PGSE NMR approach to the characterization of single and multi-site halogen-bonded adducts in solution

Back to tab navigation

Supplementary files

Publication details

The article was received on 07 Jul 2016, accepted on 17 Aug 2016 and first published on 18 Aug 2016


Article type: Paper
DOI: 10.1039/C6RA17455H
RSC Adv., 2016,6, 80604-80612

  •   Request permissions

    A PGSE NMR approach to the characterization of single and multi-site halogen-bonded adducts in solution

    G. Ciancaleoni, A. Macchioni, L. Rocchigiani and C. Zuccaccia, RSC Adv., 2016, 6, 80604
    DOI: 10.1039/C6RA17455H

Search articles by author

Spotlight

Advertisements