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Conformationally Distinct [26]Heterorubyrin(1.1.0.1.1.0) Macrocycles and Their Bis-BODIPYs: Synthesis, Structure, and Optical Properties.

Jayaprakash AjayThondikkal SulfikaraliSandra Mariya GeorgeSabapathi Gokulnath
Published in: Organic letters (2022)
Two conformationally different [26]rubyrin(1.1.0.1.1.0) macrocycles with varying heteroatoms (S/O) and their bis-BODIPYs are reported. The solid-state structure confirms O 2 N 4 with fairly planar pyrrole-inverted conformation, whereas a thiophene-inverted structure for S 2 N 4 is observed. Such conformational differences can also be clearly realized from their spectral and optical features. Upon BF 2 complexation, both rubyrins led to their respective bis-BODIPYs where S 2 N 4 -BOD displayed a perfectly planar conformation as evident from its X-ray structure.
Keyphrases
  • solid state
  • ionic liquid
  • molecular dynamics simulations
  • high resolution
  • magnetic resonance imaging
  • molecular dynamics
  • single molecule
  • contrast enhanced