Sulfur trioxide violates the octet rule. Upon drawing the Lewis dot structure for sulfur trioxide, we see that the central sulfur atom is bonded to three other oxygen atoms by double covalent bonds. Therefore, sulfur is in fact surrouded by 12 electrons and not 8 as per the octet rule. This is explained by the fact that the excited state of sulfur has the following electronic configuration: 1s22s22p63s13p34s03d2. As there are 3 oxygen atoms, sp2 hybridised orbitals take part in single σ covalent bonds with the unpaired py orbitals of the oxygen atoms. In sulfur, there still exist one unpaired p orbital and 2 unpaired d orbitals. These remaining unpaired orbitals take part in π covalent bonds with the unpaired pz orbitals of the oxygen atoms. My question is, why do the electrons in sulfur from the 3s and 3p orbitals in the ground state promote themselves to the d orbitals rather than one electron going into the intermediate 4s orbital and the next electron going into the first 3d orbital? After all, according to the Aufbau Principle, 4s is less energetic when compared to 3d.
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