Conversion of thiol to homodisulfide-Schiff base derivative: Synthesis, molecular structure, crystal structure and DFT studies
Ramadan, Ramadan M.; Elantabli FM; El-Medani SM;
Abstract
Facile conversion of a thiol-Schiff base (obtained from the condensation of 2-hydroxynaphthaldehyde and 2-aminothiophenol) to the corresponding homodisulfide derivative is described. The molecular structure and stoichiometry of the thiol (1) and disulfide (2) compounds were characterized by analytical and spectroscopic techniques. The structure of the disulfide derivative was also confirmed by single crystal X-ray analysis. Theoretical calculations based on density functional theory (DFT) were established to verify the structures of the thiol in both solid and solution forms as well the structure of the disulfide. The global chemical reactivity descriptors were estimated from the energy of the HOMO and LUMO orbitals.
Other data
Title | Conversion of thiol to homodisulfide-Schiff base derivative: Synthesis, molecular structure, crystal structure and DFT studies | Authors | Ramadan, Ramadan M. ; Elantabli FM ; El-Medani SM | Keywords | Thiol derivative;Disulfide derivatives;Spectroscopic studies;X-ray analysis;DFT calculations;DISULFIDE BOND;DNA-BINDING;COMPLEXES;CONFORMATION;OXIDATION;EFFICIENT;CU(II);CO(II);MONO | Issue Date | 2019 | Publisher | ELSEVIER | Journal | Journal of Molecular Structure | Volume | 1196 | Start page | 547 | End page | 554 | ISSN | 0022-2860 | DOI | 10.1016/j.molstruc.2019.06.108 | Scopus ID | 2-s2.0-85068401315 | Web of science ID | WOS:000487930600054 |
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