Remember atoms are not hard spheres and that Allcock's definition of
secondary bonding as rij < (rvdwi + rvdwj) is an arbitrary
one based on a very intuitive idea of having these radii as the
boundaries of atoms. Such a definition was created to account for
intermolecular interactions in the solid state. In short I think you might
still call them halogen bonds but at the same time you should perform some
population analysis to assess the electron density between the interacting atoms
so you know whether or not you have a bond between them.
Some time ago we wrote a paper on the topic.
Barroso-Flores, J. et al J. Organomet. Chem. 689 (2004) 2096-2102
doi:10.1016/j.jorganchem.2004.03.035
Hope this helps
Joaquín
======================================================= Joaquin
Barroso-Flores, Ph. D. Centro Conjunto de Investigacion en Quimica
Sustentable Instituto de Quimica UNAM
De: Mariya al-Rashida
maria_al_rashida(!)hotmail.com <owner-chemistry/./ccl.net> Para: "Flores, Joaquin Barroso "
<joaco_barroso/./yahoo.com> Enviado: viernes, 14 de mayo, 2010 2:28:21 Asunto: CCL: Help with halogen
bonding
Sent to CCL by: "Mariya al-Rashida"
[maria_al_rashida~!~hotmail.com] Hello everyone
Im currently
investigating crystal structures of some organic halogen compounds. I'm pretty
sure i've come across some "Halogen Bonds" [haolgen bonds are non covalent
interactions C-X...Y where X = halogen acting as lewis acceptor and Y = N or O
acting lewis base]. What i know from literature, both exp and theoretical is
that these interactions are found at distances equal to or slightly shorter than
sum of van
der wall radii. Whereas i'm getting these interactions at distance which is
equal to sum of van der wall radii + 0.1. Does this still count as a halogen
bond ??? Or should it be rather a weak type of haolgen bonding?
Also does
anyone know of any relavent theoretical literature for halogen
bonding
Your comments will be highly
apreciated Mariiya
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