Interaction of alkaline-earth metals encapsulated in SWNT with simple polar molecules

The interaction of alkaline-earth metals encapsulated in single-walled carbon nanotubes M@SWNT (M = Be, Mg, Ca, Sr) with small polar molecules (NH3, HF, H2O, CH3OH, CH3SH) was investigated. The calculations show that the M@SWNT systems exhibit larger affinities for simple polar molecules than the non-metal containing systems.