Comparisons Between Tridentate Bis(benzazoles)-pyridine and Bis(benzazoles)triazine Ligands: a Theoretical Study
Twelve bis(benzazole) structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory) theory (Fukui functions, chemical potential, hardness, electrophilicity index) have been computed at...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Croatian Chemical Society
2015-12-01
|
| Series: | Croatica Chemica Acta |
| Online Access: | http://hrcak.srce.hr/file/221506 |