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PKP Metadata Items |
Metadata for this Document |
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| 1. |
Title |
Title of document |
Synthesis, NMR, DFT, GRD, MEP, FMO’s analysis and comparison of E and Z-isomer of N'-((4-bromothiophen-2-yl)methylene)naphthalene-2-sulfonohydrazide |
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| 2. |
Creator |
Author's name, affiliation, country |
S. Amereih, A. Daraghmeh, M. Al-Nuri, M. Suleiman, A. Zarrouk, I. Warad; Qatar |
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| 3. |
Subject |
Discipline(s) |
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| 3. |
Subject |
Keyword(s) |
DFT, MEP map, NMR, E/Z-isomers, Sulfonylhydrazide-Schiff base. |
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| 4. |
Description |
Abstract |
A novel Schiff base N'-((4-bromothiophen-2-yl) methylene) naphthalene-2-sulfonohydrazide ligand was prepared by condensation of equivalents amount of naphthalene -2-sulfonylhydrazide with 4-bromo-2-thiophenecarboxaldehyde. The newly synthesized ligand was isolated in excellent yield. CHN-EA, UV-Vis., GC/MS, FT-IR, 1H and 13C NMR were used to determine the structure of the desired ligand. Density functional theory DFT B3LYP/6-311G(d,p) was performed to optimize the E and Z- structural isomerization process. Several quantum calculation parameters like optimized bond length, angle ant torsional angels in addition to HOMO/LUMO, GRD, and MEP map, for both E and Z isomers have been calculated and compared under the same level of theory. |
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| 5. |
Publisher |
Organizing agency, location |
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| 6. |
Contributor |
Sponsor(s) |
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| 7. |
Date |
(YYYY-MM-DD) |
01-05-2021
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| 8. |
Type |
Status & genre |
Peer-reviewed Article |
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| 8. |
Type |
Type |
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| 9. |
Format |
File format |
PDF |
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| 10. |
Identifier |
Uniform Resource Identifier |
https://revues.imist.ma/index.php/morjchem/article/view/26239 |
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| 10. |
Identifier |
Digital Object Identifier (DOI) |
https://doi.org/10.48317/IMIST.PRSM/morjchem-v9i2.26239 |
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| 11. |
Source |
Title; vol., no. (year) |
Moroccan Journal of Chemistry; Vol 9, No 2 (2021) |
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| 12. |
Language |
English=en |
en |
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| 13. |
Relation |
Supp. Files |
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| 14. |
Coverage |
Geo-spatial location, chronological period, research sample (gender, age, etc.) |
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| 15. |
Rights |
Copyright and permissions |
Copyright (c) 2021 Moroccan Journal of Chemistry
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