Abstract
We have used Molecular Electrostatic Potential (MEP) surface analysis as a web based theoretical tool to visualize and support our experimental finding on existence of C-H••• anion & anion•••π interactions in receptor-anion complexes. In addition, the MEP surface analysis also play vital role in the designing of effective receptors for anion binding. we have used web-based MolView application software to generate molecular electrostatic potential surface for our imine based, electron deficient aryl backboned tripodal model receptor L. Detailed MEP surface analysis show the nitro substitution in the aryl moiety at 2nd and 4th position of each phenyl arms leave the 6th C-H units more acidic which can actively participate in the anion recognition effectively through C-H•••anion interaction. Further, the fluoro substituted electron deficient aryl base is assisting the anion recognition process by L with its π-hole moiety through anion•••π interactions. To the best of our knowledge this is a first report on utilization of a web-based application employed in a successful design of anion receptors through C-H••• anion and anion•••π interaction.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
