Login / Signup

Synthesis, structure and aromaticity of metallapyridinium complexes.

Yilun WangYue SunWei BaiYan ZhouXiao BaoYang Li
Published in: Dalton transactions (Cambridge, England : 2003) (2022)
The first rhena-analogues of pyridinium (cyclopropametalla-2-isoquinolinium complexes) are obtained from o -ethynyl benzonitriles. Structural analysis and DFT calculations confirm their aromatic nature. Compared to rhenapyrylium, rhenapyridinium has a slightly stronger Hückel π-aromaticity, while a chlorine substituent on the rhenapyridinium ring decreases its aromaticity, which is revealed by NICS, EDDB, MCI and ΔBV(ELF π ) analysis.
Keyphrases
  • density functional theory
  • molecular docking
  • molecular dynamics
  • drinking water
  • molecular dynamics simulations
  • mild cognitive impairment
  • lipopolysaccharide induced
  • lps induced
  • amino acid
  • inflammatory response