Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/4939
Title: Characterization of persistent intramolecular C-H⋅⋅⋅X(N,O) bonds in solid state and solution
Authors: Cappelli, Andrea 
Giorgi, Gianluca 
Anzini, Maurizio 
Vomero, Salvatore
S., Ristori
Rossi, Claudio 
Donati, Alessandro 
Keywords: CH---O BOND; CARBORANE; BNCT; NMR
Issue Date: 2004
Project: None 
Journal: CHEMISTRY-A EUROPEAN JOURNAL
Abstract: 
The formation of intramolecular CH⋅⋅⋅X(N,O) bonds and their persistence in solution were studied by X-ray crystallography and NMR techniques in two different rotamers of a molecule containing the ortho-carborane cage, an amide group and a quinoline ring. Experimental data were confirmed by theoretical ab initio calculations. From the resolved structure of the two forms of this potentially active drug for boron neutron capture therapy, accurate bonding and geometric parameters were extracted for this non-classic hydrogen interaction, and their strength was calculated. These findings provided new insight in the theory of CH⋅⋅⋅X bonds, which appear stronger and less rare than it was previously thought.
Description: 
20697
URI: http://hdl.handle.net/20.500.12779/4939
ISSN: 0947-6539
DOI: 10.1002/chem.200305680
Appears in Collections:Publications

Show full item record

Page view(s)

8
Last Week
0
Last month
2
checked on May 5, 2021

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.