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Crystal Structure, Hirshfeld Surface Analysis And Ionic Conduction Properties Of 4-(diphenylamino)benzaldehyde-4-(methyl)thiosemicarbazone Additive With D-π-d Molecular Arrangement System

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dc.contributor.authorUwaisulqarni M. Osman
dc.contributor.authorSiti Zuliana Zulkifli
dc.contributor.authorMaisara Abdul Kadir
dc.contributor.authorMohd Ikmar Nizam Mohamad Isa
dc.date.accessioned2024-09-05T17:05:07Z
dc.date.available2024-09-05T17:05:07Z
dc.date.issued2024
dc.date.submitted2024-8-31
dc.descriptionJournal of Alloys and Compounds, Volume 986
dc.description.abstractA new single crystal of 4-(diphenylamino)benzaldehyde-4-(methyl)thiosemicarbazone, featuring a D-π-D molecular template was synthesized and utilized as an additive in solid biopolymer electrolytes mixed with carboxymethyl cellulose (CMC) and propylene carbonate (PC). The additive was structurally characterized using single-crystal X-ray diffraction. This revealed a triclinic crystal structure belonging to the triclinic space group, P− 1 . The lattice parameters were determined as follows: a = 6.942(6) Å; b = 11.409(11) Å; c = 12.442(10) Å; α= 91.024(16)◦; β= 104.264(12)◦; γ= 107.496(12)◦; V= 906.4(13)Å3 and Z= 2. Notably, the additive exhibited extensive π-electron delocalization, leading to the formation of infinite chains through C-H-π interactions and intermolecular hydrogen bonding, ultimately resulting in an inverse centrosymmetric dimer in the form of the R2 2(8) motif. Furthermore, a detailed Hirshfeld surface analysis of the additive revealed significant contributions from C⋅⋅⋅H/ H⋅⋅⋅C, H⋅⋅⋅S/S⋅⋅⋅H and H⋅⋅⋅N/ N⋅⋅⋅H interactions with 20.7%, 11.2% and 3.7% of the total Hirshfeld surface analysis, respectively. These interactions indicate the potential of the additive to facilitate efficient electron transfer processes. The conductivity (σ) of the CMC–PC–additive system determined at ambient temperature was 8.00 ×10− 9 Scm− 1. The dielectric properties showed that the system follows the non-Debye behavior, in which the conductivity is predominantly due to ion conduction via the hopping mechanism.
dc.identifier.citationUwaisulqarni M. Osman , Siti Zuliana Zulkifli, Maisara Abdul Kadir, Mohd Ikmar Nizam Mohamad Isa, Suhana Arshad & Siti Nabilla Aliya Mohd Nizar . (2024). Crystal structure, Hirshfeld surface analysis and ionic conduction properties of 4-(diphenylamino)benzaldehyde-4-(methyl)thiosemicarbazone additive with D-π-D molecular arrangement system. Journal of Alloys and Compounds, 986. https://doi.org/10.1016/j.jallcom.2024.174080
dc.identifier.doi10.1016/j.jallcom.2024.174080
dc.identifier.epage9
dc.identifier.issn0925-8388
dc.identifier.issue2024
dc.identifier.other2334-90
dc.identifier.spage1
dc.identifier.urihttps://oarep.usim.edu.my/handle/123456789/22500
dc.identifier.volume986
dc.language.isoen_US
dc.publisherElsevier B.V.
dc.relation.ispartofJournal of Alloys and Compounds
dc.relation.issn0925-8388
dc.relation.journalJournal of Alloys and Compounds
dc.subjectThin films Chemical synthesis Crystal structure Ionic conduction
dc.titleCrystal Structure, Hirshfeld Surface Analysis And Ionic Conduction Properties Of 4-(diphenylamino)benzaldehyde-4-(methyl)thiosemicarbazone Additive With D-π-d Molecular Arrangement System
dc.typetext::journal::journal article::research article
dspace.entity.typePublication
oaire.citation.volume986
oairecerif.author.affiliation#PLACEHOLDER_PARENT_METADATA_VALUE#
oairecerif.author.affiliation#PLACEHOLDER_PARENT_METADATA_VALUE#
oairecerif.author.affiliation#PLACEHOLDER_PARENT_METADATA_VALUE#
oairecerif.author.affiliationUniversiti Sains Islam Malaysia

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