Mutual influence between anion-π and pnicogen bond interactions: The enhancement of P•••N and P•••O interactions by an anion-π bond

In this work, the interplay between anion-pi and pnicogen bond interactions is investigated by ab initio calculations. Cooperative effects are observed in the studied complexes in which anion-pi and pnicogen bond interactions coexist. These effects are analyzed in detail in terms of the energetic, geometric, charge-transfer and electron density properties of the complexes. The cooperative energy ranges from -1.8 to -4.1 kcal mol(-1). The effect of an anion-pi bond on a pnicogen bond is more pronounced than that of a pnicogen bond on an anion-is bond. The enhancing mechanism is analyzed in views with the charge-transfer, electrostatic potential and electron density analysis. (C) 2015 Elsevier Inc. All rights reserved.