Earthline Journal of Chemical Sciences https://earthlinepublishers.com/index.php/ejcs <p style="text-align: justify;">The Earthline Journal of Chemical Sciences 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: Analytical Chemistry, Biochemistry, Inorganic Chemistry, Organic Chemistry, Physical Chemistry, Agricultural Chemistry, Clinical Chemistry, Corrosion Chemistry, Environmental Chemistry, Food Chemistry, Green Chemistry, Industrial Chemistry, Materials Chemistry, Pharmaceutical Chemistry, Polymer Chemistry, Supramolecular Chemistry. Papers related to Mathematical Chemistry and Chemical Education are also welcome.&nbsp;</p> Earthline Publishers, Madanambedu, Chittoor, Andhra Pradesh, India en-US Earthline Journal of Chemical Sciences 2581-9003 <p><img src="/public/site/images/ejcs/88x311.png"><br>This work is licensed under a <a href="http://creativecommons.org/licenses/by/4.0/" rel="license">Creative Commons Attribution 4.0 International License</a>.</p> cis- and trans-2,5,7,9-Tetranitro-2,5,7,9-tetraazabicyclo[4,3,0]nonan-8-one and Some of its Isomers-A DFT Treatise https://earthlinepublishers.com/index.php/ejcs/article/view/184 <p>Some geometrical isomers of tetranitro-tetraazabicyclonanones (the titled compounds) and some of their constitutional isomers are investigated quantum chemically at the level of B3LYP/6-311++G(d,p). The constitutional isomers differ from the title compounds by the position of the carbonyl group. All the structures are nitramines (actually nitramides of organic sense). The constitutional isomers considered are capable of exhibiting proton tautomerism (keto-enol type). The tautomers have also been subjected to density functional treatment at the same level of calculation. For all the structures various electronic, energetic and spectral data have been collected and discussed.</p> Lemi Türker Copyright (c) 2020-05-24 2020-05-24 4 2 77 88 10.34198/ejcs.4220.7788 Tautomerism in Flindersine - A DFT Treatment https://earthlinepublishers.com/index.php/ejcs/article/view/193 <p>Flindersine is a natural product of plant kingdom. Its structure contains a lactam group which could undergo 1,3-type proton tautomerism. It also has an embedded pyran moiety which might show valence tautomerism. Presently, those tautomers are investigated within the restrictions of density functional theory at the level of B3LYP/6-311++G(d,p). Certain quantum chemical output has been collected compared and discussed. Also the possibility of valence tautomerism has been searched by proposing two transition state paths.</p> Lemi Türker Copyright (c) 2020-06-13 2020-06-13 4 2 89 104 10.34198/ejcs.4220.89104 Schiff Base of Metal Complex Derived from Glycine and Benzaldehyde https://earthlinepublishers.com/index.php/ejcs/article/view/199 <p>Schiff base ligand derived from glycine and benzaldehyde was synthesized together with its metal complexes (zinc and cobalt). The solubility, IR analysis and conductivity measurement were carried out. Antibacterial activities were evaluated using well-diffusion method. The bacterial assay was carried out on two pyogenic bacteria <em>E. coli</em> and Staphylococci and the results showed that the complexes have high antibacterial activity.</p> Ishaq Yahaya Lawan Mohammed Muftahu Beli Mohammed Adamu Fatima Baba Isah Maryam Abubakar Copyright (c) 2020-06-24 2020-06-24 4 2 105 114 10.34198/ejcs.4220.105114 Homolytic C-NO2 Bond Cleavage in Diaminodinitroethylene Isomers - A DFT Treatment https://earthlinepublishers.com/index.php/ejcs/article/view/202 <p>Diaminodinitroethylene (DADNE) has three isomers including the well known <em>geminal</em> isomer, FOX-7. In the present study, the homolytic cleavage of one of the C-NO<sub>2</sub> bonds of these isomers has been considered within the constraints of density functional theory at the level of UB3LYP/6-311++G(d,p). Transition states for that type of bond rupture are obtained. Various quantum chemical properties of the parent compounds and the decomposed systems are obtained, compared and discussed. Also the activation energies are calculated. The transition state originating from <em>cis</em> DADNE and the one from the<em> geminal</em> DADNE are found to be the most and least stable ones, respectively among the all.</p> Lemi Türker Copyright (c) 2020-07-04 2020-07-04 4 2 115 136 10.34198/ejcs.4220.115136