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Molecules of life: studying the interaction between water and phosphine in argon matrices.

Matthew H V GraneriDuncan A WildAllan J McKinley
Published in: Physical chemistry chemical physics : PCCP (2022)
The interaction between water and phosphine isolated in solid argon matrices has been investigated. Infrared spectra of matrices containing water and phosphine, as well as their deuterium and 18 O isotopologues, revealed that a weak hydrogen bonded complex is formed, with an O-H⋯P bonding motif. This was supported by high level ab initio calculations, which predict a binding energy of only 5.1 kJ mol -1 (430 cm -1 ).
Keyphrases
  • density functional theory
  • molecular dynamics simulations
  • high resolution