Synthesis, crystal structure, vibrational study, optical properties and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II) monohydrate

Structural study, vibrational and optical properties, Hirshfeld surface analysis and DFT investigation of a novel organic cation hexachloridostannate(IV), (C5H8N3)2[SnCl6]

“…The C-N-C angle is equal to 124.5(3)°. Therefore, the pyridinium cations always possess an expanded angle of C-N-C [53] in comparison with the parent pyridine [116.94 (3)°], which confirm well that protonation takes place on the pyridine ring N atom. The selected bond distances and angles are illustrated in Table 2.…”

“…The theoretical counterparts of these bands appear at 1159-1604 cm -1 region. The bands observed between 530-1106 cm -1 are ascribed to ν(C=N-C), ν(C=C-C), ν(C-C=N) [53,57,58] which is theoretically predicted at 536-1106 cm -1 region. The absorption bond identified at 1296 cm -1 can be assigned to ν(C-NH 2 ) [53], the corresponding theoretical value is located at 1302 cm -1 .…”

“…This Cl…Cl interaction is sufficient to ensure the cohesion within these chains. Such halogen-halogen contacts are known to create weak antiferromagnetic interactions [53].…”

Structural, vibrational, optical properties and theoretical studies of a new organic-inorganic material: Tris-acetoguanaminium hexachlorobismuthate monohydrate

“…The absorption bands observed at 1000 and 971cm -1 in the FT-IR spectrum are assigned to respectively to N-H in plane and out of plane bending. The strong peak at 786 cm -1 corresponds to the roking of the water molecule ρ(H 2 O) [41][42]. Besides, strong and medium bands observed between 627 cm -1 and 556cm -1 are assigned to the deformation modes 𝛿(C-N-C), 𝛿(C-C-N) and (N-C-N).…”

Synthesis, Structural, Spectroscopic, Thermal, Optical Studies and Hirshfeld Surface Analysis of a New Aluminum Complex: (C<sub>8</sub>H<sub>9</sub>N<sub>2</sub>)<sub>3</sub>[Al(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·3H<sub>2</sub>O

“…Red regions represent closer contacts: O-H…O and N-H…O hydrogen bonds ( Figure 11(a)). Blue regions represent longer contacts (no interactions) [32] [33]. Crystal Structure Theory and Applications Figure 10.…”