ATR Technique in Enhancing FTIR Spectroscopic Analysis for Materials Characterization

Fourier Transform Infrared (FTIR) Spectroscopy, combined with Attenuated Total Reflectance (ATR) methodology, has become an essential analytical tool in modern science for studying molecular vibrations and molecular structures. This chapter provides an in-depth exploration of FTIR principles, focusing on its capacity to identify functional groups and monitor changes in molecular environments. ATR significantly enhances FTIR by facilitating non-destructive analysis of samples with minimum sample preparation. This chapter highlights FTIR-ATR's versatility in materials characterization, presenting it as a non-invasive and efficient technique for both industrial and academic research. The comprehensive discussion emphasizes its relevance in uncovering molecular behaviours and enhancing applications in diverse fields, from material science to biochemistry. A key application discussed is the investigation of potassium dihydrogen phosphate (KDP) crystals, which are widely used in non-linear optics and piezoelectric devices. The study evaluates KDP’s structural stability through vibrational mode analysis. Using Potential Energy Distribution (PED) calculations, the research identifies the most stable configuration of the crystal, correlating these findings with the material’s functional properties.