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Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative

A new dual mixed moieties of acetylide (C≡C) and chalcone (-CO-CH=CH) system namely 3-(naphthalen-1-yl)-1-(4- (phenylethynyl)phenyl)-2-propen-1-one (3NPP) was successfully designed and synthesized via Claisen Schmidt condensation reaction. Spectroscopic characterization and thermal analysis were con...

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Main Authors: Mohammed, Mas, Khairul, Wan M., Rahamathullah, Rafizah, Abdul Razak, Fazira Ilyana
Format: Article
Published: Penerbit UKM 2022
Subjects:
QD Chemistry
Online Access:http://eprints.utm.my/id/eprint/98780/
https://mjas.analis.com.my/mjas/v26_n4/pdf/Mas_26_4_1.pdf
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spelling my.utm.987802023-02-02T08:43:30Z http://eprints.utm.my/id/eprint/98780/ Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative Mohammed, Mas Khairul, Wan M. Rahamathullah, Rafizah Abdul Razak, Fazira Ilyana QD Chemistry A new dual mixed moieties of acetylide (C≡C) and chalcone (-CO-CH=CH) system namely 3-(naphthalen-1-yl)-1-(4- (phenylethynyl)phenyl)-2-propen-1-one (3NPP) was successfully designed and synthesized via Claisen Schmidt condensation reaction. Spectroscopic characterization and thermal analysis were conducted via Infrared Spectroscopy (FTIR), 1H and 13C Nuclear Magnetic Resonance (NMR) and Thermogravimetric (TGA) analysis. Density functional theory (DFT) assessment with basis set of B3LYP/6-31G (d,p) was computed to investigate the energy level of HOMO and LUMO, charge transfer within the molecule by global chemical reactivity descriptors (GCRD), molecular electrostatic potentials (MEP) and hyperpolarizability analyses. Penerbit UKM 2022 Article PeerReviewed Mohammed, Mas and Khairul, Wan M. and Rahamathullah, Rafizah and Abdul Razak, Fazira Ilyana (2022) Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative. Malaysian Journal of Analytical Sciences, 26 (4). pp. 684-697. ISSN 1394-2506 https://mjas.analis.com.my/mjas/v26_n4/pdf/Mas_26_4_1.pdf
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic QD Chemistry
spellingShingle QD Chemistry
Mohammed, Mas
Khairul, Wan M.
Rahamathullah, Rafizah
Abdul Razak, Fazira Ilyana
Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
description A new dual mixed moieties of acetylide (C≡C) and chalcone (-CO-CH=CH) system namely 3-(naphthalen-1-yl)-1-(4- (phenylethynyl)phenyl)-2-propen-1-one (3NPP) was successfully designed and synthesized via Claisen Schmidt condensation reaction. Spectroscopic characterization and thermal analysis were conducted via Infrared Spectroscopy (FTIR), 1H and 13C Nuclear Magnetic Resonance (NMR) and Thermogravimetric (TGA) analysis. Density functional theory (DFT) assessment with basis set of B3LYP/6-31G (d,p) was computed to investigate the energy level of HOMO and LUMO, charge transfer within the molecule by global chemical reactivity descriptors (GCRD), molecular electrostatic potentials (MEP) and hyperpolarizability analyses.
format Article
author Mohammed, Mas
Khairul, Wan M.
Rahamathullah, Rafizah
Abdul Razak, Fazira Ilyana
author_facet Mohammed, Mas
Khairul, Wan M.
Rahamathullah, Rafizah
Abdul Razak, Fazira Ilyana
author_sort Mohammed, Mas
title Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
title_short Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
title_full Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
title_fullStr Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
title_full_unstemmed Synthesis, photophysical and computational approaches on nonlinear optical (NLO) properties of naphthalen-1-yl ethynylated-chalcone derivative
title_sort synthesis, photophysical and computational approaches on nonlinear optical (nlo) properties of naphthalen-1-yl ethynylated-chalcone derivative
publisher Penerbit UKM
publishDate 2022
url http://eprints.utm.my/id/eprint/98780/
https://mjas.analis.com.my/mjas/v26_n4/pdf/Mas_26_4_1.pdf
_version_ 1758578018527215616
score 13.211869

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