| dc.date.accessioned | 2023-06-22T05:31:45Z | |
| dc.date.available | 2023-06-22T05:31:45Z | |
| dc.date.issued | 2022 | tr |
| dc.identifier.uri | https://hdl.handle.net/20.500.12418/13904 | |
| dc.description.abstract | Ex 2.2 Box 2 + Cyclophane was synthesized, and spectral characterization of this compound was completed
by using 1 H, 13 CNMR, and ESI-MS spectroscopy. Furthermore, this compound and its seven derivatives
were investigated by computational analyses. Initially, these compounds were optimized at B3LYP/6–
31G(d) level in the gas phase and water. Then, IR and NMR spectrum were analyzed. Especially, experimental
and computational results are compared with each other in Ex 2.2 Box 2 + Cyclophane. Computational
spectral results were presented due to the good harmony between experimental and computational results.
These compounds’ chemical reactivity and electron mobility were investigated using a contour plot
of frontier molecular orbital and molecular electrostatic potential map. Finally, the OLED properties of
them were examined, and it was found that compounds ( 5 )–( 7 ) may be suitable candidates for OLED
applications. | tr |
| dc.rights | info:eu-repo/semantics/openAccess | tr |
| dc.title | Determination of structural, spectral, computational and OLED properties of Ex2.2Box2+ Cyclophane and its derivatives: Experimental and computational study | tr |
| dc.type | article | tr |
| dc.contributor.department | Eğitim Bilimleri Enstitüsü | tr |
| dc.relation.publicationcategory | Rapor | tr |
