Structural, optical, and electrical studies of pyrogallol-sulfonamide-hybrids: Potential p-type conductors for optoelectronic applications

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-09-05 Epub Date: 2025-04-12 DOI:10.1016/j.molstruc.2025.142366

M.S.A. El-Gaby , E.A. Ishak , A. Naguib , Ahmed Mourtada Elseman

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Abstract

The creation of effective hole transport materials (HTMs) has become essential to the growth of solar technology. In this study, two novel pyrogallol-sulfonamide hybrids, 4a (NCTDB) and 4b (N-DTDB), were successfully synthesized and comprehensively characterized through analytical and spectroscopic techniques, as well as mass spectrometry. Their optical properties, including absorption, reflectance, band gap, and photoluminescence (PL), were systematically investigated, along with their thermal stability (TGA) and electrochemical behavior via cyclic voltammetry (CV). Hall effect measurements confirmed their p-type conductivity, highlighting their potential for hole transport applications. The NCTDB and N-DTDB compounds exhibited optical band gaps of 2.00 eV and 1.91 eV, with maximum PL emissions at

\sim

677 nm, respectively, and demonstrated thermal stability above 200 °C. These findings establish a strong foundation for the application of these materials in next-generation optoelectronic devices.

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邻苯二酚-磺酰胺杂化物的结构、光学和电学研究：光电应用的潜在p型导体

创造有效的空穴传输材料（HTMs）对太阳能技术的发展至关重要。本研究成功合成了两种新型邻苯三酚磺酰胺杂化物4a （NCTDB）和4b (N-DTDB)，并通过分析、光谱和质谱技术对其进行了综合表征。系统地研究了它们的光学性质，包括吸收、反射率、带隙和光致发光（PL），以及它们的热稳定性（TGA）和电化学行为（CV）。霍尔效应测量证实了它们的p型电导率，突出了它们在空穴输运应用中的潜力。NCTDB和N-DTDB化合物的光学带隙分别为2.00 eV和1.91 eV，最大PL发射波长分别为~ 677 nm，并且在200°C以上具有热稳定性。这些发现为这些材料在下一代光电器件中的应用奠定了坚实的基础。

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.