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Influence of the Substituent's Size in the Phosphinate Group on the Conformational Possibilities of Ferrocenylbisphosphinic Acids in the Design of Coordination Polymers and Metal-Organic Frameworks.

Ruslan P ShekurovMikhail N KhrizanforovIlya A BezkishkoKamil A IvshinAlmaz A ZagidullinAnna A LazarevaOlga N KataevaVasili A Milyukov
Published in: International journal of molecular sciences (2023)
This paper illustrates how the size and type of substituent R in the phosphinate group of ferrocenyl bisphosphinic acids can affect conformational possibilities and coordination packing. It also demonstrates that H -phosphinate plays a key role in variational mobility, while Me- or Ph- substituents of the phosphinate group can only lead to 0D complexes or 1D coordination polymer. Overall, this paper provides valuable insights into the design and construction of coordination polymers based on ferrocene-contained linkers. It sheds light on how different reaction conditions and substituents can affect conformational possibilities and coordination packing, which could have significant implications for developing new polymers with unique properties.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • single molecule
  • metal organic framework