stability of the π-π stacking interactions in the ben||n-substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben is benzene and || denotes π-π stacking interaction, and n-substituted-coronene is coronene molecule which substituted with different number of n atoms). the results reveal simultaneous effects of structure and number of heteroatom on th...

Stability of the π-π stacking interactions in the Ben||N-substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben is benzene and || denotes π-π stacking interaction, and N-substituted-coronene is coronene molecule which substituted with different number of N atoms). The results reveal simultaneous effects of structure and number of Heteroatom on th...

stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...

in the crystal structure of the title polymeric compound, [c42h38n6o33sr5.2(h2o)]n, five independent metal atoms (sr1-sr5) have different coordination environments. the sr1 and sr5 atoms are nine coordinated and feature distorted tricapped trigonal-prismatic and capped square-antiprismatic geometries, respectively. the rest srii atoms have eight coordination numbers. these units are connected v...

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...