What d orbitals are used in the hybridisation of the molecule $\ce{IF7}$. I know the hybrid state of Iodine is $sp^3d^3$ i.e. 3d orbitals are involved in hybridisation.

Some say they are $d_{(xy)}, d_{(yz)}, d_{(zx)}$ and some say $d_{(x^2-y^2)}, d_{(z^2)}$ and $d_{xy}$ are involved? Also what is the theoretical reason for it. Like I know for $sp^3d^2$ hybridisation only $d_{x2-y2}$ and $d_{z^2}$ are involved because they lie along x,y,z axes and so do the hybrid orbitals like in $\ce{SF6}$ each angle is π/2. Is there some theoretical explanation for $\ce{IF7}$ also which has pentagonal bipyramidal shape?

I know a very similar question has already been asked; How can the Bonding in IF7 be explained using LCAO method?

But it says that bonding in $\ce{IF7}$ cannot be predicted as bonds are predominantly ionic plus the answers mentioned there are using very complicated principles and theories which I am unaware of. I only know the basic theories of VSEPR, Valence Bond and the hypothetical concept of hybridisation plus very little Molecular Orbital Theory. May someone explain the bonding in $\ce{IF7}$ in a fairly simple manner especially the d orbitals used in its hybridisation. I am not specifically asking for $\ce{IF7}$ but any molecule showing $sp^3d^3$ hybridisation?

  • 3
    $\begingroup$ What kind of egg is used to paint a house? $\endgroup$
    – DHMO
    Sep 4, 2016 at 15:16
  • $\begingroup$ Indeed, if you somehow didn't noticed, earlier question asked the same and short answer is "They aren't really used to any significant extent". $\endgroup$
    – Mithoron
    Sep 4, 2016 at 16:32
  • 4
    $\begingroup$ Your question is based on false premise that hybridisation describes this molecule accurately, but it doesn't. $\endgroup$
    – Mithoron
    Sep 4, 2016 at 16:42
  • $\begingroup$ I know that but that's true if you are studying very advanced chemistry but I am asking according to my level? $\endgroup$
    – Matt
    Sep 4, 2016 at 17:17
  • $\begingroup$ @mithoron Like I said in my question I am not asking specifically for IF7. I do not want to know the exact bonding situation in IF7 molecule I am just asking about the specific kind of hybridisation sp3d3 the d orbitals involved irrespective of the fact that hybridisation descrobes the bonding of this molecule or not. $\endgroup$
    – Matt
    Sep 4, 2016 at 17:23


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