Structural characterization, vibrational study, NLO and DFT calculations of a novel organic sulfate monohydrate templated with (S)-(-)-2,6-diammonium-4,5,6,7-tetrahydrobenzothiazole

Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations

“…The assignment of the different observed bands was carried out by homologous reference to analogical studies on corresponding organic molecules 10,43–45 and sulfuric acid. 46 …”

“…Vibrational study is a handy tool to correlate structural and physical properties and its major purpose is to determine the vibrational variations of every group of atoms when they are irradiated by an electromagnetic wave of adequate frequency. 42 The assignment of the different observed bands was carried out by homologous reference to analogical studies on corresponding organic molecules 10,[43][44][45] and sulfuric acid. 46 3.3.1.…”

“…These compounds have been used for ferroelectricity, 4,5 ferroelasticity, 6 ionic liquids, 7 electrical properties, 8,9 sensing devices and in the eld of nonlinear optics. 10,11 Indeed, hydrogen sulfate (HSO 4 À ) and sulfate (SO 4 2À ) anions are of prime importance in the chemical and metal industries, with essential applications in biology, catalysis, energy storing and optics. 12 Amines present a high permanent dipole moment, 13,14 which can be reoriented in the crystal matrix, as demonstrated by previously reported inorganic salts of aliphatic amines, or, as in our case, organic sulfates and organic hydrogen sulfates.…”

“…These compounds have been used for ferroelectricity, 4,5 ferroelasticity, 6 ionic liquids, 7 electrical properties, 8,9 sensing devices and in the field of nonlinear optics. 10,11 Indeed, hydrogen sulfate (HSO 4 − ) and sulfate (SO 4 2− ) anions are of prime importance in the chemical and metal industries, with essential applications in biology, catalysis, energy storing and optics. 12…”