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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Main Author:	Anizaim, Ainizatul Husna
Format:	Thesis
Language:	English
Published:	2021
Subjects:	QC1 Physics (General)
Online Access:	http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf
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id	my-usm-ep.52455
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spelling	my-usm-ep.524552022-04-30T14:54:24Z Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications 2021-10 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 http://eprints.usm.my/52455/ http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf application/pdf en public masters Universiti Sains Malaysia Pusat Pengajian Sains Fizik
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	QC1 Physics (General)
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
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
format	Thesis
qualification_level	Master's degree
author	Anizaim, Ainizatul Husna
author_facet	Anizaim, Ainizatul Husna
author_sort	Anizaim, Ainizatul Husna
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_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_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_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
granting_institution	Universiti Sains Malaysia
granting_department	Pusat Pengajian Sains Fizik
publishDate	2021
url	http://eprints.usm.my/52455/1/AINIZATUL%20HUSNA%20BINTI%20ANIZAIM%20-%20TESIS24.pdf
_version_	1747822183449624576

Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications

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