Synthesis, physicochemical, conformation and quantum calculation of novel N-(1-(4-bromothiophen-2-yl)ethylidene)-2-(piperazin-1-yl)ethanamine Schiff base
| dc.contributor.author | Warad, Ismail | |
| dc.contributor.author | Ali, Oraib | |
| dc.contributor.author | Ahed, Riham | |
| dc.contributor.author | Bani Odeh2, Abdallah | |
| dc.contributor.author | Barghouthi, Sameer A. | |
| dc.contributor.author | Naveen, Shivalingegowda | |
| dc.contributor.author | Elmsellem, Hicham | |
| dc.contributor.author | Daraghmeh, Iqab | |
| dc.contributor.author | Lokanath, N. K. | |
| dc.contributor.author | Allali, Mustapha | |
| dc.date.accessioned | 2019-12-11T12:45:48Z | |
| dc.date.available | 2019-12-11T12:45:48Z | |
| dc.date.issued | 2017-07-05 | |
| dc.description.abstract | N-(1-(4-bromothiophen-2-yl)ethylidene)-2-(piperazin-1-yl)ethanamine Schiff base ligand was prepared in very good yield by condensation of equimolar amounts of 1-(4-bromothiophen-2-yl)ethanone with 2-(piperazin-1-yl)ethanamine under reflux condition using alcohol media. The desired Schiff base was analyzed on the basis of its MS, elemental analysis, UV-visible, FT-IR and NMR analysis. The E and Z optimization was performed to figure out the most stable isomer. Several DFT quantum calculation like: TD-SCF, MPE, IR-vibration, NMR, Mulliken population were carried out by B3LYP level of theory. The experimental analyses of the compound were compared to their theoretical coordinates. | en_US |
| dc.identifier.issn | 2028-2508 | |
| dc.identifier.uri | https://dspace.alquds.edu/handle/20.500.12213/5023 | |
| dc.language.iso | en | en_US |
| dc.subject | Schiff base | en_US |
| dc.subject | NMR | en_US |
| dc.subject | DFT | en_US |
| dc.subject | Conformational | en_US |
| dc.subject | Spectral | en_US |
| dc.title | Synthesis, physicochemical, conformation and quantum calculation of novel N-(1-(4-bromothiophen-2-yl)ethylidene)-2-(piperazin-1-yl)ethanamine Schiff base | en_US |
| dc.type | Article | en_US |