Abstract:________________________________________________________________________________Abstract. An explorative quantum chemical study of the triatomic molecule IYPt, its isomers, group 17 congeners, and dimer is carried out. The results indicate that IYPt is a ground-state singlet with a bent geometry and a large electric dipole moment of magnitude 4.8 D. The IPtY isomer also is bent but 33.5 kcalmol -1 higher in energy whereas the isomer with the central iodine atom is not stable a molecule.Furthermore, the calcul… Show more
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