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Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential

A new bis-thiourea (BT) derivative was successfully synthesized using both conventional reflux and microwave irradiation methods. The microwave irradiation reaction yielded a greater percentage yield of 73%, while the reflux heating yielded only 44%. The microwave irradiation procedure takes a minim...

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Main Authors: Hasanain Salah Naeem,, Jaber, Israa, Suhaila Sapari,, Fazira Ilyana Abdul Razak,, Rudaini, Bilal Majid, Nurul Hidayah Abd Razak,, Asmaa, Soheil Najm, Siti Aishah Hasbullah,
Format: Article
Language:English
Published: Penerbit Universiti Kebangsaan Malaysia 2024
Online Access:http://journalarticle.ukm.my/24361/1/SL%2017.pdf
http://journalarticle.ukm.my/24361/
https://www.ukm.my/jsm/english_journals/vol53num8_2024/contentsVol53num8_2024.html
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spelling my-ukm.journal.243612024-10-11T08:04:49Z http://journalarticle.ukm.my/24361/ Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential Hasanain Salah Naeem, Jaber, Israa Suhaila Sapari, Fazira Ilyana Abdul Razak, Rudaini, Bilal Majid Nurul Hidayah Abd Razak, Asmaa, Soheil Najm Siti Aishah Hasbullah, A new bis-thiourea (BT) derivative was successfully synthesized using both conventional reflux and microwave irradiation methods. The microwave irradiation reaction yielded a greater percentage yield of 73%, while the reflux heating yielded only 44%. The microwave irradiation procedure takes a minimum of 10 min to complete, in contrast to the reflux heating method, which takes 24 h. The compound was characterised using a variety of spectroscopic techniques, including UVVis, FTIR, nuclear magnetic resonance (1 H-NMR and 13C-NMR), and single crystal X-ray crystallography (XRC). It shows that BT has a high ability to form hydrogen bonds of both intermolecular and intramolecular types, as demonstrated by X-ray crystallography and DFT calculations. In addition, this research provides insights into the possible uses of BT in coordination chemistry involving metal ions, such as a copper ions. Through the use of density-functional theory (DFT) and UV-Vis investigations, it is envisaged that the BT compound has a strong tendency to form stable copper ion complexes. This is supported by the optimal energy value E(UB3LYP) observed for the Cu(II) complex. Penerbit Universiti Kebangsaan Malaysia 2024 Article PeerReviewed application/pdf en http://journalarticle.ukm.my/24361/1/SL%2017.pdf Hasanain Salah Naeem, and Jaber, Israa and Suhaila Sapari, and Fazira Ilyana Abdul Razak, and Rudaini, Bilal Majid and Nurul Hidayah Abd Razak, and Asmaa, Soheil Najm and Siti Aishah Hasbullah, (2024) Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential. Sains Malaysiana, 53 (8). pp. 1937-1952. ISSN 0126-6039 https://www.ukm.my/jsm/english_journals/vol53num8_2024/contentsVol53num8_2024.html
institution Universiti Kebangsaan Malaysia
building Tun Sri Lanang Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Kebangsaan Malaysia
content_source UKM Journal Article Repository
url_provider http://journalarticle.ukm.my/
language English
description A new bis-thiourea (BT) derivative was successfully synthesized using both conventional reflux and microwave irradiation methods. The microwave irradiation reaction yielded a greater percentage yield of 73%, while the reflux heating yielded only 44%. The microwave irradiation procedure takes a minimum of 10 min to complete, in contrast to the reflux heating method, which takes 24 h. The compound was characterised using a variety of spectroscopic techniques, including UVVis, FTIR, nuclear magnetic resonance (1 H-NMR and 13C-NMR), and single crystal X-ray crystallography (XRC). It shows that BT has a high ability to form hydrogen bonds of both intermolecular and intramolecular types, as demonstrated by X-ray crystallography and DFT calculations. In addition, this research provides insights into the possible uses of BT in coordination chemistry involving metal ions, such as a copper ions. Through the use of density-functional theory (DFT) and UV-Vis investigations, it is envisaged that the BT compound has a strong tendency to form stable copper ion complexes. This is supported by the optimal energy value E(UB3LYP) observed for the Cu(II) complex.
format Article
author Hasanain Salah Naeem,
Jaber, Israa
Suhaila Sapari,
Fazira Ilyana Abdul Razak,
Rudaini, Bilal Majid
Nurul Hidayah Abd Razak,
Asmaa, Soheil Najm
Siti Aishah Hasbullah,
spellingShingle Hasanain Salah Naeem,
Jaber, Israa
Suhaila Sapari,
Fazira Ilyana Abdul Razak,
Rudaini, Bilal Majid
Nurul Hidayah Abd Razak,
Asmaa, Soheil Najm
Siti Aishah Hasbullah,
Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
author_facet Hasanain Salah Naeem,
Jaber, Israa
Suhaila Sapari,
Fazira Ilyana Abdul Razak,
Rudaini, Bilal Majid
Nurul Hidayah Abd Razak,
Asmaa, Soheil Najm
Siti Aishah Hasbullah,
author_sort Hasanain Salah Naeem,
title Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
title_short Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
title_full Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
title_fullStr Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
title_full_unstemmed Microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
title_sort microwave vs. reflux synthesis of bis-thiourea derivative: yield optimization, crystallographic understanding and optical sensing potential
publisher Penerbit Universiti Kebangsaan Malaysia
publishDate 2024
url http://journalarticle.ukm.my/24361/1/SL%2017.pdf
http://journalarticle.ukm.my/24361/
https://www.ukm.my/jsm/english_journals/vol53num8_2024/contentsVol53num8_2024.html
_version_ 1814049132900253696
score 13.239859

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