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This study examined the relationship between job satisfaction and unethical pro‐organizational behaviours (UPB) by testing a moderated mediation model that focused on how employees' belongingness mediates the relationship between job satisfaction and UPB and how corporate ethical values moderate this mediated relationship. Our investigation included 369 employees from different organizations in Southeast China. The regression analysis revealed that job satisfaction positively influences UPB through belongingness. In addition, a moderated regression analysis indicated that low corporate ethical values strengthen not only the effect of belongingness on UPB but also the indirect effect of job satisfaction on UPB. These findings deepen our understanding of UPB by showing that individuals with a high level of job satisfaction are more likely to engage in UPB through belongingness when corporate ethical values are low. Finally, the theoretical and managerial implications of these results are discussed. [ABSTRACT FROM AUTHOR]

In this work, first-principle calculations at different levels of theory have been carried out to investigate a series of complexes formed between iodo-perfluorobenzene and several heteroatomic rings. Such model systems are selected to mimic halogen bonding interactions experimentally found within supramolecular architectures. In all cases, the predicted intermolecular distances are significantly shorter than the sums of van der Waals radii of I and N (O or S) atoms and the interactions appear to be highly directional. Halogen bonding energies, calculated at the MP2/lan12dz level, are substantial, ranging from −2.50 to −7.53 kcal/mol. Given the strength as well as the directionality comparable to hydrogen bonds, these synthons should be of general use in many fields of chemistry. Finally, to gain more insights into the nature of such interactions, we have used the natural bond orbital and atoms in molecules analyses on the studied systems, which show a considerable magnitude of charge transfer, significant orbital interaction, and distinct bond critical points between the two interacting atoms. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 [ABSTRACT FROM AUTHOR]