Synthesis, crystal structure and vibrational spectroscopic analysis of tetrakis(5-amino-1-H-1,2,4-triazol-4-ium) decachlorodibismuthate(III):[C<inf>2</inf>H<inf>5</inf>N<inf>4</inf>]<inf>4</inf>Bi<inf>2</inf>Cl<inf>10</inf>

Abstract

Physico-chemical properties of a new organic bismuthate(III), [C2H5N4]4Bi2Cl10 are discussed on the basis of X-ray crystal structure investigation. This compound crystallizes in the monoclinic space group C2/c, with a = 16.3622(3), b = 12.7941(2), c = 14.8178(2) Å, b = 98.5660(10), V = 3067.35(8) Å3 and Z = 4. The crystal structure consists of discrete binuclear [Bi2Cl10]4 anions and 3-amino-1-H-1,2,4-triazolium cations. The crystal packing is governed by strong N-H...N and weak N-H...Cl hydrogen bonds and Pi...Pi stacking interactions to form three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. The infrared study confirms the presence of the organic cation [C2H5N4]+. The vibrational absorption bands were identified by infrared spectroscopy and DFT calculations allowed their attribution