Abstract
Some halogen bonded complexes of N-iodosuccinimide (NIS) with the nitrogen atoms at the donor and acceptor positions have been investigated by 14N nuclear quadrupole resonance (NQR) spectroscopy. The data are analyzed in view of the change of the principal values of the quadrupole coupling tensor produced by halogen bonding. The results show that the deformation of the nitrogen electron orbitals is in the presently studied halogen bonded systems comparable to the one observed in strong hydrogen bonded systems. The order in which the strength of the halogen bond acceptor increases is determined. A possible iodine displacement to a position, which is closer to the acceptor nitrogen atom than to the donor nitrogen atom may occur in the complex NIS-(3-picoline). In all studied complexes the deformation of the nitrogen electron orbitals caused by the halogen bond decreases with increasing temperature at both the donor and acceptor nitrogen positions.
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