Study on the intermolecular interactions in rifampicin ternary solutions — Calculation of microscopic parameters of rifampicin molecules

✍ Scribed by C. Nadejde; D.E. Creanga; I. Humelnicu; E. Filip; D.O. Dorohoi

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 633 KB
• Volume: 150
• Category: Article
• ISSN: 0167-7322
• DOI: 10.1016/j.molliq.2009.09.012

✦ Synopsis

The nature of solute-solvent interactions in ternary solutions of rifampicin-water-ethanol was investigated by means of electronic absorption spectra recorded in visible and in ultraviolet range respectively. Measurements upon the frequency in the absorption band maxima were carried out, the mathematical interpretation of the solvent spectral shifts, on the basis of Bakhshiev's theory, leading to the emphasizing of orientation and dynamic forces. Molecular orbital modeling applied by means of specialized soft, resulted in the computational approach of rifampicin dipole moment and intramolecular hydrogen bond lengths, evidencing also four metastable conformers.