Multifunctionality and Crystal Dynamics of a Highly Stable, Porous Metal−Organic Framework [Zn₄O(NTB)₂]

Abstract

A porous metal-organic framework [Zn(4)O(NTB)(2)].3DEF.EtOH (1), in which (3,6)-connected nets are doubly interpenetrated to generate curved three-dimensional channels, has been prepared. Framework 1 exhibits high permanent porosity (Langmuir surface area, 1121 m(2)/g; pore volume, 0.51 cm(3)/cm(3)), high thermal stability (up to 430 degrees C), high hydrogen adsorption capacity (1.9 wt % at 77 K and 1 atm), selective organic guest binding ability (K(f)()( )(): MeOH > pyridine > benzene > dodecane), and guest-dependent blue luminescence (lambda(max) depending on guest identity). Most interestingly, the framework sustains single crystallinity even at 400 degrees C and 10(-)(5) Torr, and the framework components undergo reversible dynamics, mainly rotational motion, in response to removal and rebinding of the guest molecules.