Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications
15 organometallic compounds known as ferrocenyl chalcones were designed for application in dye-sensitized solar cell (DSSC) based on a donor-π-acceptor (D-π-A) architecture. The compounds were strategically synthesized using Claisen-Schmidt condensation method by introducing different substituents a...
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| Format: | Thesis |
| Language: | English |
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2021
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| Online Access: | http://eprints.usm.my/52455/ http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf |
| _version_ | 1848882261247655936 |
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| author | Anizaim, Ainizatul Husna |
| author_facet | Anizaim, Ainizatul Husna |
| author_sort | Anizaim, Ainizatul Husna |
| building | USM Institutional Repository |
| collection | Online Access |
| description | 15 organometallic compounds known as ferrocenyl chalcones were designed for application in dye-sensitized solar cell (DSSC) based on a donor-π-acceptor (D-π-A) architecture. The compounds were strategically synthesized using Claisen-Schmidt condensation method by introducing different substituents and successfully yielded 5 single crystals of ferrocenyl chalcones. All synthesized compounds were further characterized using IR and NMR methods. The UV-Vis spectroscopic study revealed the spectrum for all ferrocenyl chalcones are bathrochromically shifted up to 500 nm which are suitable for DSSCs application. Target compounds were further investigated by X-ray analysis and studied computationally using Density Functional Theory (DFT) approach to explore the potential in DSSCs. Different substituents in five ferrocenyl chalcone single crystals have been proven in enhancing intramolecular charge transfer (ICT) by improving the planarity of the compounds’ backbone. The crystal packings show the head-to-tail and side by side arrangements via intermolecular C–H···O, C–H···F, C–H···π and π···π interactions. The molecular electrostatic potential (MEP) illustrates the strength of the push-pull system by the positive, negative, and neutral electrostatic potential sites of all compounds |
| first_indexed | 2025-11-15T18:32:06Z |
| format | Thesis |
| id | usm-52455 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T18:32:06Z |
| publishDate | 2021 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-524552022-04-30T14:54:24Z http://eprints.usm.my/52455/ Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications Anizaim, Ainizatul Husna QC1 Physics (General) 15 organometallic compounds known as ferrocenyl chalcones were designed for application in dye-sensitized solar cell (DSSC) based on a donor-π-acceptor (D-π-A) architecture. The compounds were strategically synthesized using Claisen-Schmidt condensation method by introducing different substituents and successfully yielded 5 single crystals of ferrocenyl chalcones. All synthesized compounds were further characterized using IR and NMR methods. The UV-Vis spectroscopic study revealed the spectrum for all ferrocenyl chalcones are bathrochromically shifted up to 500 nm which are suitable for DSSCs application. Target compounds were further investigated by X-ray analysis and studied computationally using Density Functional Theory (DFT) approach to explore the potential in DSSCs. Different substituents in five ferrocenyl chalcone single crystals have been proven in enhancing intramolecular charge transfer (ICT) by improving the planarity of the compounds’ backbone. The crystal packings show the head-to-tail and side by side arrangements via intermolecular C–H···O, C–H···F, C–H···π and π···π interactions. The molecular electrostatic potential (MEP) illustrates the strength of the push-pull system by the positive, negative, and neutral electrostatic potential sites of all compounds 2021-10 Thesis NonPeerReviewed application/pdf en http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf Anizaim, Ainizatul Husna (2021) Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications. Masters thesis, Universiti Sains Malaysia. |
| spellingShingle | QC1 Physics (General) Anizaim, Ainizatul Husna Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title | Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title_full | Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title_fullStr | Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title_full_unstemmed | Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title_short | Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications |
| title_sort | synthesis, characterization and theoretical studies on a new donor-pi-acceptor (d-π-a) bridge system of ferrocenyl chalcones for potential solar cell applications |
| topic | QC1 Physics (General) |
| url | http://eprints.usm.my/52455/ http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf |