Study of vibrational spectra and dissociation energies in dihaloacetylenes with equivalent and different halogens: an algebraic approach

Using the U(4) algebraic model, a detailed study on the vibrational spectra of seven dihaloacetylenes, four with equivalent halogens(FCCF, ClCCCl, BrCCBr and ICCI) and three with different halogens(ClCCBr, ClCCI and BrCCI) has been reported in this work. With an elaborate spectral analysis, it has been established in this study that the U(4) algebraic model is an efficient tool to approximate all the species of dihaloacetylenes. Starting from the potential energy surface, predicted dissociation energies for the said dihaloacetylenes also have been reported here by using the U(4) algebraic model. [GRAPHICS] .