Conductometric and Computational Study of Chloramphenicol at Different Solvents and Temperatures

IF 1.2 Q3 MULTIDISCIPLINARY SCIENCES
Amel G. Abed
{"title":"Conductometric and Computational Study of Chloramphenicol at Different Solvents and Temperatures","authors":"Amel G. Abed","doi":"10.21123/bsj.2023.8239","DOIUrl":null,"url":null,"abstract":"In the present work, the electrical conductivity of chloramphenicol was measured in water and methanol at different temperature degrees  293-313 K. The parameters of conductivity equivalent conductance at infinite dilution ( Λ0), the association constant (KA) and distance parameter (R) were all recorded by using Lee-Wheaton equation and the thermodynamic parameters (ΔH, ΔG, and ΔS) were calculated as well. The behavior of a compound can be predicted through computational calculations; taking 2,2-dichloro-N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl) propan-2-yl] acetamide, for example. There is an abundance of theoretical information available about how this compound behaves in different solvents, such as water and methanol. The secret lies in analyzing the compound's HOMO and LUMO energies, which can be determined through advanced computational calculations using methods like AM1, PM3, and HF. The potential of the compound was different when changing the solvent and this is due to the value of energy and other theoretical factors like the molecular volume and Connolly parameters.","PeriodicalId":8687,"journal":{"name":"Baghdad Science Journal","volume":"671 1","pages":""},"PeriodicalIF":1.2000,"publicationDate":"2023-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Baghdad Science Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.21123/bsj.2023.8239","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 0

Abstract

In the present work, the electrical conductivity of chloramphenicol was measured in water and methanol at different temperature degrees  293-313 K. The parameters of conductivity equivalent conductance at infinite dilution ( Λ0), the association constant (KA) and distance parameter (R) were all recorded by using Lee-Wheaton equation and the thermodynamic parameters (ΔH, ΔG, and ΔS) were calculated as well. The behavior of a compound can be predicted through computational calculations; taking 2,2-dichloro-N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl) propan-2-yl] acetamide, for example. There is an abundance of theoretical information available about how this compound behaves in different solvents, such as water and methanol. The secret lies in analyzing the compound's HOMO and LUMO energies, which can be determined through advanced computational calculations using methods like AM1, PM3, and HF. The potential of the compound was different when changing the solvent and this is due to the value of energy and other theoretical factors like the molecular volume and Connolly parameters.
不同溶剂和温度下氯霉素的电导率和计算研究
本研究利用 Lee-Wheaton 方程记录了氯霉素在水和甲醇中 293-313 K 不同温度下的电导率,并计算了其热力学参数(ΔH、ΔG 和 ΔS)。以 2,2-二氯-N-[(1R,2S)-1,3-二羟基-1-(4-硝基苯基)丙-2-基] 乙酰胺为例,化合物的行为可以通过计算来预测。关于这种化合物在水和甲醇等不同溶剂中的表现,有大量的理论信息。秘诀在于分析化合物的 HOMO 和 LUMO 能量,这些能量可以通过 AM1、PM3 和 HF 等方法进行高级计算来确定。在改变溶剂时,化合物的电位是不同的,这是由能量值和其他理论因素(如分子体积和康诺利参数)造成的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
Baghdad Science Journal
Baghdad Science Journal MULTIDISCIPLINARY SCIENCES-
CiteScore
2.00
自引率
50.00%
发文量
102
审稿时长
24 weeks
期刊介绍: The journal publishes academic and applied papers dealing with recent topics and scientific concepts. Papers considered for publication in biology, chemistry, computer sciences, physics, and mathematics. Accepted papers will be freely downloaded by professors, researchers, instructors, students, and interested workers. ( Open Access) Published Papers are registered and indexed in the universal libraries.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信