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

Abstract

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. © 2011 The Royal Society of Chemistry.