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Solvatochromic and Quantum-Mechanical Characterization of Methyl Red |
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| Authors: | Andreea Celia Benchea Daniela Babusca Črtomir Podlipnik Dan Gheorghe Dimitriu |
| Institution: | 1. Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Iasi, Romaniabencheacelia@yahoo.com;3. Faculty of Physics, Alexandru Ioan Cuza University of Iasi, Iasi, Romania;4. Faculty of Chemistry and Chemical Technology, University of Ljubljana, Ljubljana, Slovenia |
| Abstract: | ABSTRACTQuantum-mechanical characterization for methyl red was performed using density function theory. The dipole moment and polarizability in the ground state of methyl red were theoretically calculated. The contribution of intermolecular interactions to spectral shifts in solution and the limits in which the excited states’ dipole moment vary in the neutral form were established by a solvatochromic study. The solvatochromism of the acid and alkaline forms of methyl red was experimentally measured and compared with calculated spectra. |
| Keywords: | Methyl red quantum-mechanical calculation solvatochromic study ultraviolet–visible spectrophotometry |