Interplay between cation-π and hydrogen bonding interactions

Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH–(HCN)nComplexes

“…They also demonstrated that synergetic effects are present in complexes where cation-p and hydrogen bonding interactions coexist. [21] The cooperativity of hydrogen bonds involving OÀH···p and CÀH···O hydrogen bonds was also studied in a hydrated dialkyne. [25] As the cooperativity between different types of interactions plays an important role in molecular recognition and crystal packing, [26,27] its study may show whether the natures of conventional and unconventional hydrogen bonds are similar.…”

The Prominent Enhancing Effect of the Cation–π Interaction on the Halogen–Hydride Halogen Bond in M1⋅⋅⋅C6H5X⋅⋅⋅HM2

“…Cation-p interactions have been investigated between cations (Li + , Na + , K + , Mg 2 + ) and p electrons in aromatic compounds such as phenol and pyrrole. [40,41] Herein, we designed the cation-p complexes of Li + and Na + with halobenzene. Figure S1 in the Supporting Information shows the optimized structures of both types of dyads at the MP2/aug-cc-pVDZ level.…”

“…Generally, the cooperative energy becomes greater as the cation-p interaction and halogen bonding become stronger. [40,41] This shows that there is a strong interplay between the halogen bond and cation-p interaction in the complexes. A many-body energy analysis was also performed and the data are listed in the Supporting Information.…”

Effect of methyl group on the cooperativity between cation–π interaction and NH···O hydrogen bonding

“…It was demonstrated that there is a strong synergetic effect between anion-p and p-p interactions in complexes where both interactions coexist. Very recently, the interplay between cation-p and hydrogen bonding interactions has also been studied in different systems with quantum chemical calculations [17][18][19]. A large synergetic effect is present in complexes where cation-p and hydrogen bonding interactions coexist.…”