Synergetic effect of atomic electronegativity, substitution position and solvent polarity on the ESIPT process of 1-(trifluoroacetylamino)anthraquinone derivatives: a DFT study
Xi Chen, Yan Leng, He Sun, Chungang Min, Ai‐Min Ren
Abstract
The intramolecular hydrogen bonds (IHBs) in the S 1 state are weakened with increasing electronegativity and strengthened with increasing solvent polarity from CYH to DMSO. The meta - and para -substituted derivatives display a stronger IHB in DMSO.
Topics & Concepts
ChemistryElectronegativityPolarity (international relations)AnthraquinonesComputational chemistrySolventSubstitution (logic)Solvent polarityOrganic chemistryBiochemistryBotanyComputer scienceProgramming languageCellBiologyPhotochemistry and Electron Transfer StudiesOrganic Chemistry Cycloaddition ReactionsSynthesis and Biological Evaluation