Abstract:The molecular structure, atomization energy, ionization energy, electron affinity and vibrational spectra of silicon dihalides, SiX 2 (X ¼ F, Cl, Br, I), have been obtained using theoretical methods in the gas phase. The neutral dihalides, their cations and anions have been studied in C 2v symmetry. The neutral species have been considered in both the 1 A 1 singlet and 3 B 1 triplet states whereas the cations (SiX 2 þ ) and anions (SiX 2
7) have been considered in the 2 A 1 and 2 B 1 states, respectively. The … Show more
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