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A versatile synthesis of arylaminotetrazoles by a magnetic Fe@Phendiol@Mn nano‐particle catalyst and its theoretical studies.
- Source :
-
Applied Organometallic Chemistry . Dec2017, Vol. 31 Issue 12, p1-N.PAG. 12p. 1 Color Photograph, 2 Black and White Photographs, 3 Diagrams, 4 Charts, 8 Graphs. - Publication Year :
- 2017
-
Abstract
- The Fe3O4 magnetic nano-particles were modified with 1,10-phenanthroline-5,6-diol and the relevant Mn complex (Fe@Phendiol@Mn) synthesized as a nano-magnetic heterogeneous catalyst to be used for the synthesis of various arylaminotetrazoles from various arylcyanamides and sodium azide in DMF at 120 °C. Also, the nano-catalyst characterized by different methods such as the elemental analysis (CHN), ICP, FT-IR, XRD, EDX, SEM, TEM, TG-DTA, VSM and XPS. In addition, the theoretical study of the Fe@Phendiol@Mn nano-catalyst was performed using the Gausian software. The calculated results showed that the Gibbs free energy and the standard enthalpy values are negative; therefore the complex is stable. Incidentally, the computational chemistry descriptions including the electronic chemical potential, global hardness, electrophilicity index, energy gap, global softness and electronegativity were calculated. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 02682605
- Volume :
- 31
- Issue :
- 12
- Database :
- Academic Search Index
- Journal :
- Applied Organometallic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 126495593
- Full Text :
- https://doi.org/10.1002/aoc.3826