Adibah Izzati Daud
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Preferred name
Adibah Izzati Daud
Official Name
Adibah Izzati, Daud
Alternative Name
Daud, Adibah Izzati
Main Affiliation
Scopus Author ID
55764818200
Researcher ID
O-5684-2016

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  • Publication
    Structural study of a novel acetylide-thiourea derivative and its evaluation as a detector of benzene
    ( 2017-07-05)
    Wan Mohd Khairul Wan Mohamed Zin
    ;
    Adibah Izzati Daud
    ;
    Noor Azura Mohd Hanifaah
    ;
    Suhana Arshad
    ;
    Ibrahim Abdul Razak
    ;
    Hafiza Mohamed Zuki
    ;
    Mauricio F. Erben
    The new derivative 1-hexanoyl-3-(4-p-tolylethynyl-phenyl)-thiourea (APHX) was synthesised by the addition reaction between 4[4-aminophenyl] ethynyltoluene and hexanoyl isothiocyanate in acetone. The acetylide group was incorporated by using Sonogashira cross-coupling reaction allowing for the preparation of acetylide-thiourea compound. APHX was then elucidated via single crystal X-ray crystallography analysis, spectroscopic and elemental analysis by Fourier Transform Infrared (FT-IR) spectroscopy, 1H and 13C Nuclear Magnetic Resonance (NMR), UV–visible analysis, CHNS-elemental analysis. APHX was also evaluated theoretically via density functional theory (DFT) approach. APHX was fabricated onto glass substrate via drop-cast technique prior to act as optical thin-film and its performance as volatile organic compounds (VOCs) sensor was investigated through the difference in UV–vis profile before and after exposure towards benzene. Preliminary findings revealed that APHX showed interaction towards benzene with about 48% sensitivity. According to thermogravimetric studies, APHX showed good thermal stability, without decomposition up to ca. 190 Â°C. Whilst, crystal structure of APHX consists in a nearly planar acylthiourea moiety with the C[dbnd]O and C[dbnd]S bonds utilizing trans position, favoring by an intramolecular N[sbnd]H⋯O[dbnd]C hydrogen bonds. The alkyl chain is oriented 90° with respect to acylthiourea group. The phenyls group in the 1-methyl-4-(phenylethynyl)benzene moieties are mutually planar and slightly twisted with respect to the acylthiourea plane. Centrosymmetric dimers generated by intermolecular N[sbnd]H⋯S[dbnd]C and C[sbnd]H⋯S[dbnd]C hydrogen bonds forming R22 (8) and R21(6) motifs are present in the crystals. The interaction between APHX with benzene has been modelled and calculated using density functional theory (DFT) via Gaussian 09 software package and the preferred sites of binding are located at the acylthiourea group.
  • Publication
    Nonlinear optical (NLO) properties of donor-Ï€-donor featuring diformyltriphenylamine chalcone derivatives
    (Elsevier B.V., 2025)
    Nurul Nabilah Shuaib
    ;
    Adibah Izzati Daud
    ;
    Suhana Arshad
    ;
    Mohamad Aizat Abu Bakar
    ;
    Saleh K. Alsaee
    ;
    Norazlan Mohmad Misnan
    This research was carried out to explore the impact of substituent groups with varying electron-donating strengths on the nonlinear optical (NLO) properties of four recently synthesized chalcone derivatives (DFC1–DFC4). Spectroscopic characterization was conducted via FT-IR and NMR, while thermal stability was assessed through TGA. Linear and third-order NLO behaviours were determined using a UV–Vis spectrometer and a Z-scan technique with 637 nm excitation. Density functional theory (DFT) with B3LYP functionals, focusing on nonlinear optical parameters including global reactivity descriptors, and photophysical properties including HOMO-LUMO energy levels. NLO properties, incorporating dipole moment, polarizability, and hyperpolarizabilities, were calculated using a numerically differentiated analytic method. Z-scan data revealed that DFC1–DFC4 NLO responses, significantly affected by electron-donating groups and intermolecular interactions, position them as promising materials for optoelectronic and NLO applications.
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