- Title
- Investigation of the Chemical Nature and Species Distribution of Nitromethane in Inert Solvents
- Creator
- Namntu, Vuyokozi
- Description
- The solution behaviour of nitromethane in inert solvents; carbon tetrachloride, n-hexane and cyclohexane is rigorously investigated using mainly spectroscopic and computational techniques. Analysis of Proton (1H) and Carbon 13 (13C) NMR spectral data reveal that nitromethane solutions in inert solvents form associated species to varying degrees of complexity. A cyclic dimer is postulated as the energetically most favourable chemical species at low solute concentrations. Infrared spectra studied in the overtone region and UV-Visible spectral data confirm the presence of multiple associated chemical species at different solute concentrations with the degree of association progressively increasing with increase in concentration of the solute. The species involved in the association of nitromethane is formulated as (CH3NO2)2n, where n=0, 1,2 and 3, for the monomer, dimer and higher order polymers respectively. Line-shape analysis of both infrared and UV spectra show the onset of a plateau at molar solute concentrations of 0.616 molar described by the point of inflection in the absorption curve at around 0.055 cm-1 , in the second overtone.
- Description
- Thesis (MSc) -- Faculty of Natural Sciences, 2014
- Date
- 2014
- Type
- Masters theses, text
- Identifier
- http://hdl.handle.net/11260/2964
- Identifier
- vital:43106
- Format
- computer, online resource, application/pdf, 1 online resource (100 pages), pdf
- Publisher
- Walter Sisulu University, Faculty of Natural Sciences
- Language
- English
- Rights
- Walter Sisulu University, All Rights Reserved, Open Access
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