- Conference date: 24–28 February 2008
- Location: Thiruvananthapuram, Kerala (India)
The absorption spectra of halogen substituted benzenes have been studied in its pure form in the region. Large number of bands involving fundamental, C–H overtones and combination bands has been observed. Vibrational frequencies, anharmonicity constants and dissociation energies, for the C–H stretch vibrations have been determined using local mode model. The frequencies obtained are compared with the frequencies obtained theoretically using B3LYP/6‐311G* method. Effect of hydrogen atom substitution by chlorine and bromine atoms has been studied by measuring changes in the vibrational frequency and bond length of the C–H bond. Frequency changes have been well correlated with the change in charge density on the carbon as well as chlorine atoms.
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