Adducts of S/Se donors with dihalogens as a source of information for categorizing the halogen bonding.
ARAGONI, MARIA CARLA;ARCA, MASSIMILIANO;ISAIA, FRANCESCO;LIPPOLIS, VITO
2012-01-01
Abstract
The great variety of products ensuing from the reactions between chalcogen donors and dihalogens and their assemblies in the crystal lattice provides a wide experimental basis useful to disembroil the ongoing debate on how to define the halogen bonding. In this paper we present a critical analysis/study of the structural features retrieved from the Cambridge Structural Database (CSD) for linear three-body systems involving either halogens, X−X−X (X = Br, I), or halogen(s) and chalcogen(s) atoms, E−X− Y, X−E−Y, and E−X−E (E = S, Se; X = Y = Cl, Br, I; X = I, Y = Cl, Br, I). The relative elongations (δ) of the two bonds in the examined three-body systems with respect to the sum of the relevant atomic radii can be fitted by a common nonlinear least-squares equation derived from the bond-valence model. The similarities observed in the structural features suggest a common nature of the chemical bond in all systems considered and indicate that the charge transfer and the 3c-4e models can be successfully applied to all the cases considered to explain the nature of the chemical bonding.Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.