| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394343 | Computational and Theoretical Chemistry | 2013 | 8 Pages |
Abstract
⺠The geometrical complexes of strapped calix[4]pyrroles and halide anions were obtained. ⺠AIM, NBO and EDA have been used to analyze the recognition interactions. ⺠The order of selectivity is Fâ > Clâ > Brâ, PCP possessed a higher affinity. ⺠The computational results explain sufficiently the experimental phenomena.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Theoretical study on halide anion recognitions by pyrrole- and benzene-strapped calix[4]pyrroles](/preview/png/5394343.png "First Page Preview: Theoretical study on halide anion recognitions by pyrrole- and benzene-strapped calix[4]pyrroles")
Authors
Ju Xie, Wenling Feng, Pengfei Lu, Yang Meng,