Influence of odd-even effect and intermolecular interactions in 2D molecular layers of bisamide organogelators.

ABSTRACT: Organogelators have a wide range of use in everyday life including drug delivery and controlled release, surface coating and paper industry. In this study, a series of model bisamides have been analyzed as potential organogelators. These molecules are connected by odd and even numbered methylene units (n) in length ranging from 2 to 9. By constructing layers of those molecules along the growth direction we provide an insight into the self-assembly process. A complete systematic analysis of the computational results with B3LYP/6-311+G** suggests that the self-assembly of these potential organogelators is influenced by the odd-even effect, the relative direction of amide carbonyl groups, the bridging spacer chain length and the presence of a chiral alpha carbon. The aforementioned fac

SUBMITTER: Kocasoy V 

PROVIDER: S-EPMC9088050 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature