Unveiling the Multifaceted Nature of 4‐(4‐Methylphenyl Thio)benzophenone: Electronic Structure and Excited States in Gas Phase and Solvents
Manjeet Bhatia
Abstract:Benzophenone and its derivatives are widely used as UV filters and UV‐ink photoinitiators. The photoinitiating properties of benzophenones depend on their degree of conjugation and delocalization within the molecule. By understanding how conjugation, delocalization, and different substituents affect these properties, benzophenone derivatives can be customized for specific applications. Using quantum mechanical calculations based on B3LYP/6‐311++G(d, p) density functional theory (DFT), chemical reactivity, stab… Show more
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