Is the hybridization of $\ce{XeOF4}$ $\mathrm{sp^2}$ rather than $\mathrm{sp^3d^2}$, because the latter type of hybridization does not exist?
Every answer in the Quora thread "How can we find the hybridization of $\ce{XeOF4}$?" concluded that the hybridization of $\ce{XeOF4}$ is $\mathrm{sp^3d^2}$. However, the very last answer posted by Steven Fawl, Professor of Chemistry at Napa Valley College (1985-present) reads: "Where to begin? Let me start here - every answer thus far is wrong! This molecule is not $\mathrm{sp^3d^2}$ hybridized. It is actually $\mathrm{sp^2}$ hybridized and I am going to prove it." The issue that I have with his post is that it only cites a couple of Wikipedia articles as his sources, and it contradicts every chemistry book that I have read by claiming that $\mathrm{sp^3d}$ and $\mathrm{sp^3d^2}$ hybridizations do not exist. The justification he gives for the latter is the following quote from this Wikipedia article:
In 1990, Magnusson published a seminal work definitively excluding the role of $\mathrm{d}$-orbital hybridization in bonding in hypervalent compounds of second-row (period 3) elements, ending a point of contention and confusion. Part of the confusion originates from the fact that $\mathrm{d}$-functions are essential in the basis sets used to describe these compounds (or else unreasonably high energies and distorted geometries result). Also, the contribution of the $\mathrm{d}$-function to the molecular wavefunction is large. These facts were incorrectly interpreted to mean that $\mathrm{d}$-orbitals must be involved in bonding (Ref.1 and Ref.2).
For transition metal centers, the $\mathrm{d}$ and $\mathrm{p}$ orbitals are the primary valence orbitals, which are only weakly supplemented by the $\mathrm{p}$ orbitals (Ref.3). The question of whether the $\mathrm{p}$ orbitals actually participate in bonding has not been definitively resolved, but all studies indicate they play a minor role.
Indeed, the abstract of Ref.2 states that:
No evidence is found to support the traditional notions of $\mathrm{sp^md^n}$ hybridization.
But this article is not publicly available and it may not reflect the current scientific consensus. Making a long story short: Are the authors of Ref.2 and Steven Fawl correct? If so, is the bonding of every hypervalent molecule analogous to $\ce{XeOF4}$ (removing 1, 2 or 3 electrons from the valence shell of the central atom and $\mathrm{sp^n}$ hybridize it)?
References:
- Eric Magnusson, "Hypercoordinate molecules of second-row elements: $\mathrm{d}$ functions or $\mathrm{d}$ orbitals?," J. Am. Chem. Soc. 1990, 112(22), 7940–7951 (https://doi.org/10.1021/ja00178a014).
- David L. Cooper, Terry P. Cunningham, Joseph Gerratt, Peter B. Karadakov, Mario Raimondi, "Chemical Bonding to Hypercoordinate Second-Row Atoms: $\mathrm{d}$ Orbital Participation versus Democracy," J. Am. Chem. Soc. 1994, 116(10), 4414–4426 (https://doi.org/10.1021/ja00089a033).
- Gernot Frenking, Sason Shaik (Eds), eds. "Chapter 7: Chemical bonding in Transition Metal Compounds," In The Chemical Bond: Chemical Bonding Across the Periodic Table; Wiley-VCH: Weinheim, Germany, 2014, pp. 175-218 (ISBN 978-3-527-33315-8).