DFT calculations and electrochemical studies on azulene ligands for heavy metal ions detection using chemically modified electrodes
A computational study on three related derivatives of 5-[(azulen-1-yl)methylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, mole...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Association of Physical Chemists (IAPC)
2018-03-01
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| Series: | Journal of Electrochemical Science and Engineering |
| Subjects: | |
| Online Access: | http://pub.iapchem.org/ojs/index.php/JESE/article/view/475 |