Synthesis, thermodynamic and spectroscopic study of violurate salt.
The organic salts are a broad class of ionic chemicals with a variety of properties. Scientists have an interest in violurate salts because of their bright color and crystal structure. In this study, 4-chloroanilinium violurate salt was synthesized and identification using infrared spectroscopy, 13C...
| Publicado en: | Journal of Basrah Researches (Sciences) Vol. 50; no. 1; pp. 203 - 214 |
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| Autores principales: | , , |
| Formato: | Artículo |
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Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR)
2024
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=181177430&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 181177430 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 18172695 GYGY jtl: Journal of Basrah Researches (Sciences) issn: 18172695 maglogo: N pubinfo: dt: 2024 vid: 50 iid: 1 pid: 25427 pub: Republic of Iraq Ministry of Higher Education & Scientific Research (MOHESR) artinfo: ui: 181177430 10.56714/bjrs.50.1.17 ppf: 203 ppct: 11 formats: tig: atl: Synthesis, thermodynamic and spectroscopic study of violurate salt. aug: au: Abdulzahra, Huda Nouri H Ismael, Sadiq M. Almashal, Faeza Abdulkareem affil: Department of Chemistry, College of Education for pure sciences, University of Basrah, Basrah, Iraq. su: Chemical properties Density functional theory Infrared spectroscopy Nuclear magnetic resonance spectroscopy Crystal structure sug: subj: Chemical properties Density functional theory Infrared spectroscopy Nuclear magnetic resonance spectroscopy Crystal structure keyword: DFT hyperpolarizability polarizability violurate salt الاستقطابية املاح الفويلوريت فرط الاستقطابية ab: The organic salts are a broad class of ionic chemicals with a variety of properties. Scientists have an interest in violurate salts because of their bright color and crystal structure. In this study, 4-chloroanilinium violurate salt was synthesized and identification using infrared spectroscopy, 13C NMR spectroscopy and Electrospray ionization (ESI). Density functional theory (DFT) calculations have been performed using B3LYP/6-31++G**, and CAM-B3LYP/6-31++G** levels of theory. Practically, chloroanilinium ion (M+H) has a relative abundance of 100% in ESI+, indicating its excellent stability. The protonation formula for violuric acid (VA+H) shows instability, despite the observation of a low abundance of the (VA+3H) ion. DFT calculations demonstrate the exothermic nature of the salt formation reaction. The calculated enthalpy change is -26.861kJ in the B3LYP/6-31++G** level of theory and -31.82kJ in the CAM-B3LYP/6-31++G** level of theory. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2024 holdings: @attributes: islocal: N |
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