Comprehensive Structural Characterization and Quantum Mechanical Exploration of O-Phenylenediamine Dihydrogenphosphate: An Integrated Theoretical and Experimental Approach

Abdellatif Rafik,Hassane Lgaz,Hafid Zouihri,Han-seung Lee,Taoufiq Guedira

Inorganica Chimica Acta（2024）

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摘要

•Crystallographic study of OPDP, revealing a triclinic lattice and Z=2 unit cell.•Unveiling intermolecular N–H···O hydrogen bonds for a bi-dimensional framework.•Use of FTIR and DFT to validate experimental findings and explore molecular properties.•SEM and EDX analyses confirm surface morphology and elemental composition.

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关键词

Inorganic-Organic Hybrid,Dihydrogenphosphate,O-Phenylenediamine,Infrared spectroscopy,DFT,Optical properties

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