The nature of halogen...halogen interactions: a model derived from experimental charge-density analysis.
Slightly attractive: The attractive and anisotropic nature of the ClCl interaction in C(6)Cl(6) is experimentally demonstrated from an expansion of the electron density rho(r) around the chlorine nuclei. The interaction is explained in a model in which there is a bonding attraction involving electron-deficient (see picture, blue) and electron-rich (red) regions of adjacent Cl atoms.
Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (UMR 7036), Nancy Université, Faculté des Sciences et Techniques, BP 239, Boulevard des Aiguillettes, 54506 Vandoeuvre-lès-Nancy, France.
Thai Thanh Thu
TT
Bui
Slimane
S
Dahaoui
Claude
C
Lecomte
Gautam R
GR
Desiraju
Enrique
E
Espinosa