Earthline Journal of Chemical Sciences <p style="text-align: justify;">The Earthline Journal of Chemical Sciences (e-ISSN: 2581-9003) (CODEN: EJCSB4) is a peer-reviewed international journal devoted to publishing original research articles, review articles as well as short reports containing substantial contributions in any direction of Chemical Sciences. The major areas covered by the journal include, but are not limited to, the following:&nbsp;Agricultural Chemistry, Analytical Chemistry, Biochemistry, Catalysis, Clinical Chemistry, Corrosion Chemistry, Environmental Chemistry, Food Chemistry, Green Chemistry, Industrial Chemistry, Inorganic Chemistry, Materials Chemistry, Molecular Chemistry, Organic Chemistry, Petrochemistry, Pharmaceutical Chemistry, Physical Chemistry, Phytochemistry, Polymer Chemistry, Structural Chemistry, Supramolecular Chemistry. Articles based on Chemical Engineering, Mathematical Chemistry and Chemical Education are also welcome.&nbsp;</p> en-US <p><img src="/public/site/images/ejcs/88x311.png"><br>This work is licensed under a <a href="" rel="license">Creative Commons Attribution 4.0 International License</a>.</p> (D. Kavitha) (K. Jhansi Rani) OJS 60 Destructive Reduction of TEX by Lithium-DFT Treatment <p>Interaction of lithium atom with TEX molecule which is a high density energetic material is considered within the restrictions of density functional theory at the level of UB3LYP/6-31++G(d,p). The results indicate that the lithium atom transfers an electron to TEX causing the rupture of one of C-N bonds of the structure. Some geometrical and quantum chemical data have been collected and discussed. A plausible mechanism has been suggested for the destructive reduction of TEX molecule.</p> Lemi Türker Copyright (c) Sun, 03 Jan 2021 00:00:00 +0000 A Composite of NTO and TNAZ-A DFT Treatment <p>NTO and TNAZ are two important explosive materials. In the present study, 1:1 molar composite of them are investigated within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p). Certain quantum chemical, physicochemical and spectral properties of the composite have been harvested and compared with the respective values of its components. The formation of composite is exothermic and favorable. The components in the composite undergo certain type of interaction to affect properties of each other.</p> Lemi Türker Copyright (c) Sun, 10 Jan 2021 00:00:00 +0000 Characterization of Ni(II) and Cd(II) Metal Complexes using Schiff Base Ligand derived from 2-Thiophenecarboxyldehyde and 2 Aminothiophenol <p>Schiff base ligand derived from condensation of 2-aminothiophenol and 2‑thiophenecarboxyldehyde was synthesized and used for the preparation of Ni(II) and Cd(II) complexes. The synthesized ligand and complexes were analyzed by decomposition temperature, solubility, magnetic susceptibility, molar conductance and infrared spectra. The decomposition temperatures of the complexes are 212 and 221°C. Molar conductance values are 16.12 and 12.60 ohm<sup>-1</sup>cm<sup>2</sup>mol<sup>-1 </sup>respectively. New bands appeared in the IR spectra of the complexes in the range of 519 - 475 cm<sup>-1</sup> and 462 - 448 cm<sup>-1</sup> which indicate υ (M - N) and υ (M - S) vibrations respectively. Magnetic susceptibility measurement indicated that Ni (II) complex is paramagnetic whileCd(II) complex is diamagnetic. The solubility test revealed that all complexes and ligand are soluble in DMSO. The analytical data show the formation of 2:1 metal to ligand ratio for all complexes and suggested the formula [ML<sub>2</sub>].nH<sub>2</sub>O. The ligand and metal chelates have been studied for microbial activity using well diffusion method against selected bacteria and fungi. The results signify that Ni(II) and Cd(II) metal complexes inhibit more compared with Schiff base ligand against the same test organisms.</p> Umar Dalha, Aminu Ahmad, Sunusi Yahaya , I. U. Kutama Copyright (c) Sun, 14 Feb 2021 00:00:00 +0000 Comparative Approach to Interaction of Zinc Dication with Theobromine and Theophilline-A DFT Treatment <p>Two isomeric methylxanthines, theobromine and theophilline, and their Zn<sup>+2</sup> containing composites are considered within the restrictions of density functional theory (B3LYP/ 6-31++G(d,p)). Certain quantum chemical, thermodynamic and spectral data have been harvested, compared and interpreted. The results revealed that theophilline+Zn<sup>+2</sup> system is thermodynamically more exothermic, more favorable and electronically stable compared to the analogous system, theobromine+Zn<sup>+2</sup>.</p> Lemi Türker Copyright (c) Fri, 19 Feb 2021 00:00:00 +0000