Publication: Synthesis, Characterization, Structure-Property Relationship And Non-Linear Optical (Nlo) Studies Of Halogenated Chalcones
| dc.contributor.author | Ai, Wong Qin | |
| dc.date.accessioned | 2026-06-25T06:47:22Z | |
| dc.date.available | 2026-06-25T06:47:22Z | |
| dc.date.issued | 2025-05 | |
| dc.description.abstract | The influence of electron-withdrawing (ew) and electron-donating (ed) substituents on chalcone derivatives concerning the photophysical and third-order non-linear optical (nlo) properties was comprehensively studied using a combination of experimental and computational approaches. Three series with a total of eleven halogenated chalcone compounds, which include thienoyl- and benzoyl-based chalcones, were designed and synthesized. Characterization was performed using ftir and nmr spectroscopies, whereas crystal structures were investigated using scxrd analysis. Quantum-chemical studies revealed that changes in electronic properties are driven by substituent effects, including ed/ew character, electron delocalization, aromaticity and polarity govern. Derivatives with strong edgs and extended ring system exhibited higher molecular polarity, cyanine-like bond length alternation (bla) in enone moiety and narrower homo-lumo gap (< 3.7 ev). Uv-vis absorption spectroscopy confirms broad transparency (> 500 nm) across all derivatives, indicating their suitability for optical applications. Hole-electron analysis, ifct spectrum and aatcm heat map revealed excitation mechanisms governed by substituent positioning. Para-substituted edgs on b-ring facilitated long-distance electron redistribution, whereas steric hindrance from substituents proximal to π-conjugation bridge weakened charge delocalization. | |
| dc.identifier.uri | https://erepo.usm.my/handle/123456789/24482 | |
| dc.language.iso | en | |
| dc.subject | Synthesis | |
| dc.subject | Characterization | |
| dc.subject | Structure-Property Relationship Non-Linear Optical | |
| dc.title | Synthesis, Characterization, Structure-Property Relationship And Non-Linear Optical (Nlo) Studies Of Halogenated Chalcones | |
| dc.type | Resource Types::text::thesis::doctoral thesis | |
| dspace.entity.type | Publication | |
| oairecerif.author.affiliation | Universiti Sains Malaysia |