A density functional investigation of 1,3-bis(4-nitrophenyl)urea as anion receptor
The B3LYP/6-311+G(d,p) optimized structures of 1,3-bis(4-nitrophenyl)urea receptor (1) and its complexes with halide ions F-, Cl-, Br-, oxygen-containing anions NO2-, NO3-, HCO3-, HSO4-, H2PO4-, CH3COO-and C6H5COO-ions were obtained. Binding energies and thermodynamic properties of binding between t...
Saved in:
Main Authors: | , , , , , , |
---|---|
Other Authors: | |
Format: | Article |
Published: |
2018
|
Subjects: | |
Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/27219 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Mahidol University |