[angelzing2008]

Hi, I am looking for molecular orbital diagram of zinc oxide. I would like to know how to draw it and linked it to the valence band and conduction band. Thank you.

My attempt: Electron configuration of Zn: 1s2 2s2 2p6 3s2 3p6 3d10 4s2; Electron configuration of O: 1s2 2s2 2p4. Valence electron of Zn: 4s2

[angelzing2008]

can someone provide help to me in solving this question ?

[cth]

Hi, I am looking for molecular orbital diagram of zinc oxide. I would like to know how to draw it and linked it to the valence band and conduction band. Thank you.

You won't find any molecular orbital diagram for ionic compounds. How to even define a "molecule" in such a compound?
What you are actually looking for is the electronic band structure (http://en.wikipedia.org/wiki/Band_structure). As for ZnO band structure specifically, it has been published but I don't know if you can get access to it.

[angelzing2008]

You won't find any molecular orbital diagram for ionic compounds. How to even define a "molecule" in such a compound?
What you are actually looking for is the electronic band structure (http://en.wikipedia.org/wiki/Band_structure). As for ZnO band structure specifically, it has been published but I don't know if you can get access to it.
[/quote]

Actually i m looking for the molecular interaction of 3d of Zn with the 2s of the oxygen.

[cth]

OK, try Google with "ZnO band structure":
http://www.tyndall.ie/research/electronic-theory-group/cm4105/bandstructs/ZnO.pdf

Most work published on ZnO in chemistry or physics journals is copyright materials. But, I think you can get access to the link I put above. Yes?