Synthesis, characterisation and DFT studies of [3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl](phenyl)methanone derivatives

Coetzee, LCC; Muller, AJ; Adeyinka, AS; Sonopo, MS; Williams, DBG

Synthesis, characterisation and DFT studies of [3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl](phenyl)methanone derivatives

Coetzee, LCC Muller, AJ Adeyinka, AS Sonopo, MS Williams, DBG

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Publisher:: Elsevier BV
Publication Type:: Journal Article
Citation:: Results in Chemistry, 2021, 3, pp. 100165
Issue Date:: 2021-01-01

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Field	Value	Language
dc.contributor.author	Coetzee, LCC
dc.contributor.author	Muller, AJ
dc.contributor.author	Adeyinka, AS
dc.contributor.author	Sonopo, MS
dc.contributor.author	Williams, DBG
dc.date.accessioned	2022-01-17T00:52:50Z
dc.date.available	2022-01-17T00:52:50Z
dc.date.issued	2021-01-01
dc.identifier.citation	Results in Chemistry, 2021, 3, pp. 100165
dc.identifier.issn	2211-7156
dc.identifier.issn	2211-7156
dc.identifier.uri	http://hdl.handle.net/10453/153192
dc.description.abstract	Three 1,2,4-triazole derivatives have been synthesised from hydrazides and 2-(2-hydroxyphenyl)-4H-1,3-benzoaxin-4-one. With the aid of Conceptual Density Functional Theory (CDFT), Molecular Electrostatic Potential (MEP) and Quantum Theory of Atoms in Molecules (QTAIM) analysis, the effect of incorporating para-substituted moieties on the hydrazides were investigated for both successful and unsuccessful reactions, as well as reactivities for the former. 1H- and 13C NMR, FT-IR and HRMS were used to characterize these compounds.
dc.language	en
dc.publisher	Elsevier BV
dc.relation.ispartof	Results in Chemistry
dc.relation.isbasedon	10.1016/j.rechem.2021.100165
dc.rights	info:eu-repo/semantics/restrictedAccess
dc.rights	This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
dc.title	Synthesis, characterisation and DFT studies of [3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl](phenyl)methanone derivatives
dc.type	Journal Article
utslib.citation.volume	3
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
utslib.copyright.status	in_progress	*
dc.date.updated	2022-01-17T00:52:49Z
pubs.publication-status	Published
pubs.volume	3

Abstract:

Three 1,2,4-triazole derivatives have been synthesised from hydrazides and 2-(2-hydroxyphenyl)-4H-1,3-benzoaxin-4-one. With the aid of Conceptual Density Functional Theory (CDFT), Molecular Electrostatic Potential (MEP) and Quantum Theory of Atoms in Molecules (QTAIM) analysis, the effect of incorporating para-substituted moieties on the hydrazides were investigated for both successful and unsuccessful reactions, as well as reactivities for the former. 1H- and 13C NMR, FT-IR and HRMS were used to characterize these compounds.

Please use this identifier to cite or link to this item:

http://hdl.handle.net/10453/153192