Controlling structural and photophysical properties in sequentially methylated phenoxazines

2025/12/09 by Alexander Huber, Felix van der Vight, Viktoria Heising +5 · 1 voice
Materials Science · Biochemistry, Genetics and Molecular Biology · #Photochromic and Fluorescence Chemistry #Phenothiazines and Benzothiazines Synthesis and Activities #Luminescence and Fluorescent Materials

paper · pdf · doi:10.1039/d5qo01437a

openalex publication_date 2025/12/09 · openalex created_date 2025/12/10 · openalex updated_date 2026/07/22

Abstract

Steric pressure from ortho -methyl groups modulates both structural and photophysical responses in functionalized phenoxazines. Meticulous control of this effect allows precise tuning of their photoluminescence.

Citations

• Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
• Effect of the damping function in dispersion corrected density functional theory
• Best‐Practice DFT Protocols for Basic Molecular Computational Chemistry**

Discussions

• Research by Jens Voskuhl's team. #UNI-DUE Authors investigated how steric pressure influences the structural and photophysical attributes in a series of sequentially methylated phenoxazines. doi.or [bsky, 0 points, 0 comments]