Electrostatic potential, molecular interactive halogen bonding

Halogen bonding also manifests itself in the relative orientations of halogen derivatives in the crystalline state [149]. Indeed, the modes of interaction in many nonhydrogen-bonded noncovalent systems, ranging from gas phase complexes to molecular crystals, can be satisfactorily rationalized in terms of molecular surface electrostatic potentials [44,55,150]. In several instances, we have used this approach to explain anomalously high measured solid densities [151,152]. 

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