Cooperative effects in two-dimensional ring-like networks of three-center hydrogen bonding interactions.

Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions

The Effect of Hydrogen Bonding and π–π Stacking to Stabilization of 3D Networks of a New Proton Compound, (a-6-mpyH)(Hpyzd) H2O

A new proton transfer compound, formulated as (Hamp-6-pic)(Hpyzd) ∙H2O (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (H2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. Extensive O−H×××O, N−H×××N and O−H×××O hydrogen bonds involving (Hamp-6-pic)+ cation, (Hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

Anion˗π and Intramolecular Hydrogen Bond Interactions in the Various Complexes of 1,3,5-Triamino-2,4,6-trinitrobenzene with H-, F-, Cl- and Br- Anions

The quantum chemical calculations were performed to investigate the interplay between the anion˗π and intramolecular hydrogen bond (IMHB) interactions in the various complexes of 1,3,5-triamino-2,4,6-trinitrobenzene (ANB) with Hˉ, Fˉ, Clˉ and Brˉ anions. For better understanding the cooperative effects, the parent molecules (ANB) and the corresponding complexes of 1,3,5˗trinitrobenzene with the...

Hydrogen Bonding versus π-π Stacking Interactions in Imidazolium-Oxalatoborate Ionic Liquid.

Intermolecular features like hydrogen bonding and π-type interactions play pivotal roles in stabilizing molecular structures in ionic liquids with planar rings and hydrogen-bond donors and acceptors. However, the delicate interplay among these interactions is complicated and depends on specific ion types. In this work, ab initio molecular dynamics simulations were performed to reveal competitiv...