| Autor: |
Daud, Nur Aisyah Mohamad, Wong, Qin Ai, Ooi, Bi Sheng, Quah, Ching Kheng, Ramzi, Farah Diana, Win, Yip-Foo, Patil, Parutagaouda Shankaragouda |
| Zdroj: |
Chemical Physics Impact; 20240101, Issue: Preprints |
| Abstrakt: |
•The incorporation of thienyl ring in chalcone backbone enhances nonlinear absorption, nonlinear refraction, and optical limiting responses relative to phenyl ring.•A stronger push-pull effect is revealed through electrostatic potential analysis and the greater electron delocalization is demonstrated by π-electron localization function analysis (ELF-π).•A lower energy barrier for electronic transitions is indicated by the smaller HOMO-LUMO energy gap (EH-L) and optical energy gap (Eg).•The intramolecular charge transfer mechanism of charge-transfer (CT) type excitations is established viahole-electron distribution and interfragmentary charge transfer analyses. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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