Synthesis, structure, lattice energy and enthalpy of 2D hybrid perovskite [NH3(CH2)4NH3]CoCl4, compared to [NH3(CH2)nNH3]CoCl4, n=3-9

A new organic-inorganic 2D hybrid perovskite [NH3(CH2)(4)NH3]CoCl4,1,4butane diammonium tetra-chlorocobaltate, has been synthesized. Blue prismatic single crystals were grown from ethanolic solution in 1:1 stoichiometric ratio (organic/inorganic) by gradual cooling to room temperature after heating at 70 degrees C for 1 h. The hybrid crystallizes in a triclinic phase with the centrosymetric space group P (1) over bar. Its unit cell parameters are a= 7.2869 (2)angstrom, b=8.1506 (2) angstrom, c= 10.4127 (3)angstrom, alpha= 77.2950 (12)degrees, beta= 80.0588 (11)degrees, gamma=82.8373 (12)degrees and Z=2. The final R factor is 0.064. The structure consists of organic dications [NH3(CH2)(4)NH3](2+)which act as spacer between layers of inorganic dianions [CoCl4](2-) in which Coll ions are coordinated by four CI atoms in an isolated tetrahedral structure. The organic and inorganic layers form infinite 2D sheets which are parallel to the ac plane, stacking alternatively along the b-axis, and are connected via N-H center dot center dot center dot Cl hydrogen bonds. The lamellar structure of the 1,4 butane diammonium tetrachlorocobaltate hybrid is typically considered as naturally self-assembled multiple quantum wells (MQW). The calculated lattice potential energy U-pot (kJ/mol) and lattice enthalpy Delta H-L (kJ/mol) are inversely proportional to the molecular volume V-m (nm(3)) of perovskite hybrid of the formula [NH3(CH2)(n)NH3]CoCl4, n=3-9. (C) 2016 Elsevier B.V. All rights reserved.