Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n

Abstract

A primitive cubic (pcu) network of formula [Ni(1,2-bis(4-pyridyl)acetylene)₂(Cr₂O₇)]_n, DICRO-2-Ni-i, has been synthesised and found to exhibit a novel type of inclined 2-fold interpenetration and an isosteric heat of adsorption (Q_st) of 30.5 kJ mol⁻¹ towards CO₂ at zero loading. Q_st is relatively high in the broad context but less than that observed in related hybrid ultramicroporous materials, a feature that can be understood after studying pore structure and molecular simulations of CO₂ adsorption.