| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394434 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠The reactivity descriptors of 34 pyridine ligands are calculated using the B3LYP/6-311++G** method. ⺠The calculated reactivity descriptors are used to describe their hard-soft properties. ⺠The ligands affinity towards H+, Cu+ and Cu2+ ions are calculated using the same level of theory. ⺠These HSAB interactions are explained in terms of the calculated descriptors.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Saied M. Soliman,