X-Ray crystal structure of [HSm{V ^IVO(TPPS)}] _n and encapsulation of nitrogen molecules in 1-D channels

The crystal structure of an N ₂-encapusulated MOF, which is stable under open-air conditions at ambient temperature, was determined by single-crystal X-ray diffraction at 123 K. The crystal MOF of [HSm{V ^IVO(TPPS)}] _n designed to have 1-D channels periodically constricted by porphyrins planes adsorbed N ₂ at 77 K. The adsorbed N ₂ molecules remained in the 1-D channels even after warming to ambient temperature. The single-crystal structure of [HSm{V ^IVO(TPPS)} ] _n⊃N ₂ determined by X-ray diffraction indicated that N ₂ molecules trapped in the constricted parts block other N ₂ molecules in 1-D channels from escaping from the MOF. Such a unique encapsulation mode provides a promising approach toward designing novel MOFs with high gas storage capacity at ambient temperature.