Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

How to assign symmetry to water molecule using D4h symmetry?

  1. May 10, 2016 #1
    Could you explain why an H2O that attacks Ni(CN)4 ^(2-) (in square planar) (which has D4h symmetry) at one of the axial sites would have A2u symmetry? I know that the "HOMO" for the p orbital of the H2O would be a p orbital. I also tried to link that electron pair to an irreducible representation in the D4h character table.

    Going across the row:

    E 2C4 (z) C2 2C'2 2C''2 i 2S4 σh 2σv 2σd

    I got the following numbers: +1, +1, +1, 0, 0, 0, 0, 0, +1, +1...which doesn't correspond with any of the irreducible representations. (When the H2O flips because of a C2' or C2'' rotation (and others...), it gives 0s. Was there something wrong in my approach? I used the metal center as the center for all operations.
     
  2. jcsd
  3. May 11, 2016 #2

    DrDu

    User Avatar
    Science Advisor

    The water molecule would lower the symmetry of the complex to at least C2v. Then the p orbital has simply the symmetry it has in water alone.
     
Know someone interested in this topic? Share this thread via Reddit, Google+, Twitter, or Facebook

Have something to add?
Draft saved Draft deleted



Similar Discussions: How to assign symmetry to water molecule using D4h symmetry?
  1. Symmetry in molecules (Replies: 5)

  2. Symmetry elements (Replies: 2)

  3. Symmetry in molecules (Replies: 4)

Loading...