- Title
- Ultrasound promoted synthesis, characterization and computational studies of some thiourea derivatives
- Creator
- Odame, Felix, Hosten, Eric C, Lobb, Kevin A, Tshentu, Zenixole R
- Subject
- To be catalogued
- Date
- 2020
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/451199
- Identifier
- vital:75028
- Identifier
- xlink:href="https://doi.org/10.1016/j.molstruc.2020.128302"
- Description
- Synthesis of some thiourea derivatives have been achieved by using ultrasound, the compounds have been characterised using IR, NMR, GC-MS and elemental analysis. The single crystal X-ray structure of N-[(benzyloxy)methanethioyl]benzamide (IV), 1-benzoyl-3-(2-hydroxyethyl)thiourea (V) and 3-benzoyl-1-(1-benzylpiperidin-4-yl)thiourea (VI) has been presented and the bond lengths and bond angles contrasted with computed results. The HOMO and LUMO energy levels as well as the global chemical reactivity descriptors of the compounds have also been computed and discussed. Two comformers were obtained for compounds IV to VI in the molecular Electrostatic potential and the vibrational frequency computations and these have been discussed.
- Format
- computer, online resource, application/pdf, 1 online resource (10 pages), pdf
- Publisher
- Elsevier
- Language
- English
- Relation
- Journal of Molecular Structure, Odame, F., Hosten, E.C., Lobb, K. and Tshentu, Z., 2020. Ultrasound promoted synthesis, characterization and computational studies of some thiourea derivatives. Journal of Molecular Structure, 1216, p.128302, Journal of Molecular Structure volume 1216 p. 128302 2020 1872-8014
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)
- Rights
- Closed Access
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Collections
Lobb, Kevin Allan (Assoc Prof)
RU Department of Chemistry
SDG 03. Good Health and Well-Being
| Thumbnail | File | Description | Size | Format | |||
|---|---|---|---|---|---|---|---|
| View Details | SOURCE1 | Ultrasound promoted synthesis, characterization and computational studies of some thiourea derivatives.pdf | 788 KB | Adobe Acrobat PDF | View Details |