Mbossé Ndiaye-Guèye, Amar Diop, Papa Aly Gaye, I. Thiam, F. Tamboura, M. Gaye
Herein we reported the binuclear complexes of the 1-(pyridin-2-yl)-2-(pyridin-2-ylmethylene)hydrazine ligand (HL) [Ln2(HL)2(CH3COO)6].n(H2O) (Ln = Y, Pr, Gd and Er). The binuclear complexes are characterized by IR and physical measurement. Spectroscopic evidence indicated that the Schiff base HL behave an N3 coordination tridentate ligand. The complexes are formulated as [{Ln(1-(pyridin-2-ylmethylidene-kN)-2-(pyridin-2-yl-kN)hydrazine-kN1)(h2-OOCH3)2}{h1:h2:m2-OOCH3}2{Ln(1-(pyridin-2-ylmethylidene-kN)-2-(pyridin-2-yl-kN)hydrazine-kN1))(h2-OOCH3)2}].n(H2O). The structure of the praseodymium complex was elucidated by X-ray diffraction analysis. Suitable crystals were grown by slow evaporation of methanol solution. The asymmetric unit of the compound contains two neutral ligand molecules, two Pr3+ ions, four acetate anions acting in h2-OOCH3 mode, two acetate anions acting in h1:h2:m2-OOCH3 mode, and three uncoordinated water molecules. The praseodymium atom is ten coordinated and the coordination sphere is best described as a distorted bicapped square antiprism. The PrIII···PrIII distance is 4.2777(6) Å and the bridging angle Pr—O—Pr and O—Pr—O are respectively 115.8(3)° and 64.2(3)°. The structure is consolidated by intra and intermolecular hydrogen bond.
{"title":"Syntheses, Characterization, and X-ray Crystal Structure of Binuclear Lanthanide Complexes Assembled with Schiff Base and Acetate","authors":"Mbossé Ndiaye-Guèye, Amar Diop, Papa Aly Gaye, I. Thiam, F. Tamboura, M. Gaye","doi":"10.34198/ejcs.7122.8195","DOIUrl":"https://doi.org/10.34198/ejcs.7122.8195","url":null,"abstract":"Herein we reported the binuclear complexes of the 1-(pyridin-2-yl)-2-(pyridin-2-ylmethylene)hydrazine ligand (HL) [Ln2(HL)2(CH3COO)6].n(H2O) (Ln = Y, Pr, Gd and Er). The binuclear complexes are characterized by IR and physical measurement. Spectroscopic evidence indicated that the Schiff base HL behave an N3 coordination tridentate ligand. The complexes are formulated as [{Ln(1-(pyridin-2-ylmethylidene-kN)-2-(pyridin-2-yl-kN)hydrazine-kN1)(h2-OOCH3)2}{h1:h2:m2-OOCH3}2{Ln(1-(pyridin-2-ylmethylidene-kN)-2-(pyridin-2-yl-kN)hydrazine-kN1))(h2-OOCH3)2}].n(H2O). The structure of the praseodymium complex was elucidated by X-ray diffraction analysis. Suitable crystals were grown by slow evaporation of methanol solution. The asymmetric unit of the compound contains two neutral ligand molecules, two Pr3+ ions, four acetate anions acting in h2-OOCH3 mode, two acetate anions acting in h1:h2:m2-OOCH3 mode, and three uncoordinated water molecules. The praseodymium atom is ten coordinated and the coordination sphere is best described as a distorted bicapped square antiprism. The PrIII···PrIII distance is 4.2777(6) Å and the bridging angle Pr—O—Pr and O—Pr—O are respectively 115.8(3)° and 64.2(3)°. The structure is consolidated by intra and intermolecular hydrogen bond.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89099288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Diacetone diperoxide (DADP) and triacetone triperoxide (TATP) are very sensitive organic-peroxide type explosives which are easily synthesized. The present density functional treatment considers oxidative powers of DADP and TATP molecules based on comparison of their interactions with certain group II-metals at the level of B3LYP/6-311++G(d,p). Composite systems of DADP and TATP with Be, Mg and Ca have been considered. Although, in the case of beryllium composites, DADP and TATP and in the magnesium composite of DADP the organic component remains intact, Ca composites of DADP and TATP undergo ring rapture. Certain structural, electronic, quantum chemical and some spectral properties of the composites have been obtained and discussed.
{"title":"Comparison of Oxidative Powers of DADP and TATP - A DFT Treatise","authors":"L. Türker","doi":"10.34198/ejcs.7122.6780","DOIUrl":"https://doi.org/10.34198/ejcs.7122.6780","url":null,"abstract":"Diacetone diperoxide (DADP) and triacetone triperoxide (TATP) are very sensitive organic-peroxide type explosives which are easily synthesized. The present density functional treatment considers oxidative powers of DADP and TATP molecules based on comparison of their interactions with certain group II-metals at the level of B3LYP/6-311++G(d,p). Composite systems of DADP and TATP with Be, Mg and Ca have been considered. Although, in the case of beryllium composites, DADP and TATP and in the magnesium composite of DADP the organic component remains intact, Ca composites of DADP and TATP undergo ring rapture. Certain structural, electronic, quantum chemical and some spectral properties of the composites have been obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"17 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72868717","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Diacetone diperoxide (DADP) is one of the sensitive and powerful organic peroxide explosives like its trimeric analogue TATP. Presently, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) have been obtained and discussed. The studied mono and dianions having different multiplicity states have been found to be stable but monocation form decomposed.
{"title":"Charged Forms of Diacetone Diperoxide - DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.7122.5365","DOIUrl":"https://doi.org/10.34198/ejcs.7122.5365","url":null,"abstract":"Diacetone diperoxide (DADP) is one of the sensitive and powerful organic peroxide explosives like its trimeric analogue TATP. Presently, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) have been obtained and discussed. The studied mono and dianions having different multiplicity states have been found to be stable but monocation form decomposed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"77 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87348001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The Niger Delta region of Nigeria is of great socio-economic importance due to its huge crude oil reserves. However, the process of exploration has been of great detrimental effect on the physiochemical properties of the soil, water and air quality in the region and has caused several public health issues. This review article is focused on readdressing the extent of the impact of one of the processes, gas flaring on the environment, using some physiochemical parameters of rain water, soil and air quality in some selected communities in the Niger Delta region based on series of previous researches. The results show that gas flaring has negatively impacted the physical and chemical properties soil, water and air components of the environment, most especially impacting areas very close to the flaring site. Also, recommendations were made as to how the flaring of gas can be reduced to a very minimal level as well as how these gases can be utilized making it more economical than the flaring process which is a very good case for further research.
{"title":"A Review of the Environmental Impact of Gas Flaring on the Physiochemical Properties of Water, Soil and Air Quality in the Niger Delta Region of Nigeria","authors":"A. Elijah","doi":"10.34198/ejcs.7122.3552","DOIUrl":"https://doi.org/10.34198/ejcs.7122.3552","url":null,"abstract":"The Niger Delta region of Nigeria is of great socio-economic importance due to its huge crude oil reserves. However, the process of exploration has been of great detrimental effect on the physiochemical properties of the soil, water and air quality in the region and has caused several public health issues. This review article is focused on readdressing the extent of the impact of one of the processes, gas flaring on the environment, using some physiochemical parameters of rain water, soil and air quality in some selected communities in the Niger Delta region based on series of previous researches. The results show that gas flaring has negatively impacted the physical and chemical properties soil, water and air components of the environment, most especially impacting areas very close to the flaring site. Also, recommendations were made as to how the flaring of gas can be reduced to a very minimal level as well as how these gases can be utilized making it more economical than the flaring process which is a very good case for further research.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"200 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75535456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The titled structure possesses many electron donating and attracting groups and should have push-pull type character. Its constitutional isomer, 2,6-diamino-3,5-dinitropyridine-N-oxide is a heat-resistant explosive material. In the present article, the charged forms of the titled structure have been investigated within the constraints of density functional theory at the level of UB3LYP/6-31++G(d,p). The calculations have revealed that it is electronically less stable than its isomer, 2,6-diamino-2,5-dinitropyridine-N-oxide. Some structural, electronic, quantum chemical and spectral behavior of ±1, ±2 type ions of it are considered presently.
标题结构具有许多供电子和吸引电子基团，应具有推拉型特征。其构造异构体2,6-二氨基-3,5-二硝基吡啶- n -氧化物是一种耐热炸药。本文在UB3LYP/6-31++G(d,p)水平的密度泛函理论约束下，研究了标题结构的带电形式。计算表明，它的电子稳定性低于它的异构体2,6-二氨基-2,5-二硝基吡啶- n -氧化物。目前研究了它的±1、±2型离子的结构、电子、量子化学和光谱行为。
{"title":"Charged Forms of 2,6-Dinitro-1-oxidopyridin-1-ium-3,5-diamine - A DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.7122.1734","DOIUrl":"https://doi.org/10.34198/ejcs.7122.1734","url":null,"abstract":"The titled structure possesses many electron donating and attracting groups and should have push-pull type character. Its constitutional isomer, 2,6-diamino-3,5-dinitropyridine-N-oxide is a heat-resistant explosive material. In the present article, the charged forms of the titled structure have been investigated within the constraints of density functional theory at the level of UB3LYP/6-31++G(d,p). The calculations have revealed that it is electronically less stable than its isomer, 2,6-diamino-2,5-dinitropyridine-N-oxide. Some structural, electronic, quantum chemical and spectral behavior of ±1, ±2 type ions of it are considered presently.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89724337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-10-14DOI: 10.34198/ejcs.6221.249260
Nisreen Jawad, Ebaa A. Hamooshy
Nanotechnology has begun to be used to solve or at least mitigate environmental pollution problems, and in turn has provided a great opportunity to develop some strategies to protect the environment from pollution. Nanotechnology enables having the possibility to increase the efficiency of energy consumption, produce clean energy sources, solve the problem of water and air pollution and other environmental problems by developing new ways to provide and treat drinking water and discover air pollution. This stimulated the United Nations to pay attention to it and to monitor a plan to benefit from its applications in various fields. This paper reviews the impacts of nanotechnology on such environmental issues.
{"title":"Nanotechnology and Environment Study","authors":"Nisreen Jawad, Ebaa A. Hamooshy","doi":"10.34198/ejcs.6221.249260","DOIUrl":"https://doi.org/10.34198/ejcs.6221.249260","url":null,"abstract":"Nanotechnology has begun to be used to solve or at least mitigate environmental pollution problems, and in turn has provided a great opportunity to develop some strategies to protect the environment from pollution. Nanotechnology enables having the possibility to increase the efficiency of energy consumption, produce clean energy sources, solve the problem of water and air pollution and other environmental problems by developing new ways to provide and treat drinking water and discover air pollution. This stimulated the United Nations to pay attention to it and to monitor a plan to benefit from its applications in various fields. This paper reviews the impacts of nanotechnology on such environmental issues.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"86 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85841023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Triacetonetriperoxide (TATP) is a very sensitive organic peroxide type explosive which attracts the attention of terrorist groups due to its easy synthesis. The present density functional treatment considers the interaction of TATP molecule with certain group II metals at the level of B3LYP/6-311+G(d,p). Composite systems of TATP and Be, 2Be, Mg and Ca have been considered. Although, in the case of beryllium composites TATP molecule remains intact, in its Mg and Ca composites the rupture of the ring (even in 1:1 composite) occurs. Certain structural, electronic, quantum chemical and some spectral properties of the composites have been obtained and discussed.
{"title":"Interaction of TATP with Some Group II Metals - A DFT Treatment","authors":"L. Türker","doi":"10.34198/ejcs.7122.116","DOIUrl":"https://doi.org/10.34198/ejcs.7122.116","url":null,"abstract":"Triacetonetriperoxide (TATP) is a very sensitive organic peroxide type explosive which attracts the attention of terrorist groups due to its easy synthesis. The present density functional treatment considers the interaction of TATP molecule with certain group II metals at the level of B3LYP/6-311+G(d,p). Composite systems of TATP and Be, 2Be, Mg and Ca have been considered. Although, in the case of beryllium composites TATP molecule remains intact, in its Mg and Ca composites the rupture of the ring (even in 1:1 composite) occurs. Certain structural, electronic, quantum chemical and some spectral properties of the composites have been obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"44 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90955056","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-29DOI: 10.34198/ejcs.6221.239247
L. Türker
Partitioning of any real number has been achieved based on an elliptic model introduced. Then, it has been adopted to isomeric molecules including optically active ones. Certain angles and bounds are defined. A bivariant regression model has been proposed for a set of isomeric molecules and discussed.
{"title":"Partitioning of Molecular Weight - An Elliptic Model for Isomers","authors":"L. Türker","doi":"10.34198/ejcs.6221.239247","DOIUrl":"https://doi.org/10.34198/ejcs.6221.239247","url":null,"abstract":"Partitioning of any real number has been achieved based on an elliptic model introduced. Then, it has been adopted to isomeric molecules including optically active ones. Certain angles and bounds are defined. A bivariant regression model has been proposed for a set of isomeric molecules and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"47 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76557604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-29DOI: 10.34198/ejcs.6221.229237
Suhayla K. Mohammed, Mzahim M. Taha, E. M. Taha
With the new global outbreak of the novel COVID-19, control and treatment has become critical. There is no medication proven to be effective for the treatment of severe acute respiratory syndrome which is caused by COVID-19 according to the World Health Organization (WHO) reports. Most studies that have been done on this time are clinical trials. Those studies used several drugs like lopinavir, ritonavir, nebulized alpha-interferon and, aminoquinolines. The mechanism of action is not well known so far. This review studies the metabolites of the tested drugs with different kinds of the viral membrane which merging proteins based on mechanical criteria.
{"title":"Chemical and Mechanical Actions of Drugs Active Group Used in COVID-19 Treatment","authors":"Suhayla K. Mohammed, Mzahim M. Taha, E. M. Taha","doi":"10.34198/ejcs.6221.229237","DOIUrl":"https://doi.org/10.34198/ejcs.6221.229237","url":null,"abstract":"With the new global outbreak of the novel COVID-19, control and treatment has become critical. There is no medication proven to be effective for the treatment of severe acute respiratory syndrome which is caused by COVID-19 according to the World Health Organization (WHO) reports. Most studies that have been done on this time are clinical trials. Those studies used several drugs like lopinavir, ritonavir, nebulized alpha-interferon and, aminoquinolines. The mechanism of action is not well known so far. This review studies the metabolites of the tested drugs with different kinds of the viral membrane which merging proteins based on mechanical criteria.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"32 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83737375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2021-09-15DOI: 10.34198/ejcs.6221.215228
L. Türker
TNAZ is a thermally stable high energy explosive molecule. In the present study, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) are obtained and discussed.
{"title":"Some Ions of TNAZ - A DFT Study","authors":"L. Türker","doi":"10.34198/ejcs.6221.215228","DOIUrl":"https://doi.org/10.34198/ejcs.6221.215228","url":null,"abstract":"TNAZ is a thermally stable high energy explosive molecule. In the present study, some ionic forms of it have been investigated within the limitations of density functional theory at the level of UB3LYP/6-311++G(d,p). Various properties (including structural, electronic, spectral and quantum chemical) are obtained and discussed.","PeriodicalId":11449,"journal":{"name":"Earthline Journal of Chemical Sciences","volume":"30 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75401262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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