Synthesis, structural study, thermal, optical properties and characterization of the new compound [C 6 H 7 N 2 O 2 ] 3 TeCl 5 ·2Cl

Abstract

The new organic-inorganic compound, [(C 6 H 7 N 2 O 2) 3 TeCl 5 .2Cl] was synthesized and its structure was determined at room temperature in the triclinic system (P ̅ 1) with the following parameters: a= 10.5330(11)Å, b= 10.6663(11) Å, c= 15.9751(16)Å, α= 82.090(2)°, β= 71.193(2)°, γ= 68.284(2)° and Z = 2. The final cycle of refinement led to R= 0.057 and R w = 0.149. The crystal structure was stabilized by an extensive network of N-H...Cl and nonclassical C-H…Cl hydrogen bonds between the cation and the anionic group. Several thermal analysis techniques such as thermogravimetric analysis, the differential scanning calorimetric analysis and Evolved Gas Analysis were used. We used isoconversional kinetics methods to determine the kinetics parameters. We observe that the decomposition of [C 6 H 7 N 2 O 2 ] 3 TeCl 5 .2Cl entails the formation hydrochloric acid of nitroaniline as volatiles. The infrared spectra were recorded in the 4000-400 cm-1 frequency region. The Raman spectra were recorded in the external region of the anionic sublattice vibration 50-1500 cm-1. The optical band gap was calculated from the UV-Vis absorbance spectra using classical Tauc relation which was found to be 3.12 and 3.67 eV.

A novel antibacterial benzimidazolium hexachlorotellurate hybrid compound: Experimental-theoretical characterization

“…According to prior IR spectra of halogenotellurate hybrid materials, the internal vibrational modes of similar inorganic entities appear below 400 cm − 1 , [39,79] so they cannot be seen in the range here considered.…”

“…5. Thorough assignments of the observed bands were made based on a comparison with experimental results reported in the literature for similar compounds [39,[50][51][52][79][80][81][82][83][84][85], on visual scrutiny of the wavenumbers, and on the calculated IR spectrum. The experimental assignments are collected in the Table 4 along with the calculated displacement vectors associated to the most relevant normal vibrational modes.…”

“…The strongest peak at 321 nm (3.74 eV) can be assigned to ligand-to-metal charge transfer bands [79]. The third one at 380 nm (3.12 eV) may come from the electronic excitations between the excited state sp and the ground state s 2 of the telluric center: Te(IV) [39,79,89,90]. Essentially, large energy is needed to promote electrons to higher orbitals, since the crystalline structure absorbs light in the UV region.…”

“…Actually, this protonation plays an important role in several applications such as optics and catalysis [36][37][38]. Amine organic cations interact with anionic octahedral metal complexes through hydrogen bonds yielding structures with attractive chemical reactivity and physical properties [29,[31][32][33][39][40][41]. In the large family of amines, countless reports have been posted on the benzimidazole one in sight of its broad ranging activities.…”

Study on Thermal Decomposition Behavior, Gaseous Products, and Kinetic Analysis of Bis-(Dimethylglyoximato) Nickel(II) Complex Using TG-DSC-FTIR-MS Technique

“…The kinetic triplet, E, A, and f (α), is very important for kinetic studies, while it can be used to explain the reaction mechanism and make a kinetic prediction [44][45][46]. It is also the main aim of kinetic studies to obtain a kinetic triplet.…”