New diphosphopentamolybdate (VI) ( $$\hbox {C}_{6}\hbox {H}_{14}\hbox {N})_{4}$$ C 6 H 14 N ) 4 ( $$\hbox {NH}_{4})_{2}[\hbox {P}_{2}\hbox {Mo}_{5}\hbox {O}_{23}]\cdot \hbox {H}_{2}\hbox {O}$$ NH 4 ) 2 [ P 2 Mo 5 O 23 ] · H 2 O synthesis, crystal structure, experimental and theoretical studies

Abstract

The title compound (\(\hbox {C}_{6}\hbox {H}_{14}\hbox {N})_{4}(\hbox {NH}_{4})_{2}[\hbox {P}_{2}\hbox {Mo}_{5}\hbox {O}_{23}]\cdot \hbox {H}_{2}\hbox {O}\) (1) was obtained by solution method using ammonium molybdate tetrahydrate, phosphoric acid and cyclohexylamine reagents in aqueous solution. A single-crystal X-ray diffraction study shows that the compound crystallizes in triclinic crystal system with space group P-1 and cell constants \(a = 10.7178(4)\) Å, \(b= 15.0809(6)\) Å, \(c= 15.7745(9)\) Å, \(\alpha = 71.510(6){^{\circ }}\), \(\beta = 75.508(2){^{\circ }}\) and \(\gamma = 88.493(8){^{\circ }}\). Also, in this article, we report results of thermal, electrochemical and spectral studies. In addition, the majority of theoretical properties were carefully studied.