Growth, structure, optical and thermal properties of three new organic–inorganic hybrid crystals: (C2H7N4S)3BiCl6·H2O, (C2H7N4S)2BiBr5, and (C2H5N4S)2BiI5

Crystal structure, computational study, optical and vibrational properties of a new luminescent material based on bismuth(III): (C10H28N4)[Bi2Cl10]

“…These Bi-Cl distances, shortest than the sum of the Van der Waals radii of the bismuth and the chlorine atoms 3.82 Å, are in good conformity with data for similar compounds [54][55][56][57].…”

“…dimer and taking into account the calculations carried out here [14,49,[54][55][56][57][58][59]. The HF/SDD calculations for the anionic sublattice made up of isolated Bi2Cl10 dimers composed of two BiCl6 distorted octahedra sharing one edge predict the vibration modes between 230 and 32 cm -1 .…”

Crystal structure, spectroscopic measurement, optical properties, thermal studies and biological activities of a new hybrid material containing iodide anions of bismuth(iii)

“…The assignment of the external modes of the inorganic anions, observed in the Raman spectrum, is based on the comparison with previous works reported on homologous compounds. 62,63 The Bi-I external asymmetric stretching vibration is seen to give rise to the strongest Raman line at 142 cm À1 . The observed band at 132 cm À1 is assigned to the Bi-I external symmetric stretching vibration.…”

A Series of Organic–Inorganic Hybrid Compounds [(C2H5)4N]InCl4–xBrx (x = 0, 2, 4): Synthesis, Crystal Structure, and Nonlinear Optical Properties

“…The theoretical calculations for hybrid halides [N­(C 2 H 5 ) 4 ]­InCl 4– x Br x ( x = 0, 2, 4) were performed with the Materials Studio package on the basis of density functional theory, which has been successfully applied to many metal halide hybrids . The lattice cell was fixed to be as same as that obtained by single-crystal structure analyses.…”