Appropriate Orbitals for Water

 

Figure 1: Coördinate System Appropriate for Studying Water

If one were to attempt a molecular orbital study of water, one might use the following orbitals in the basis set:

To place the protons symmetrically, one might define and so that and which would place the protons in the x-y plane symmetrically disposed about the +x-axis. Which of the following would be inappropriate representations of any of these orbitals?


There are four (4) correct answers (I think!).
Answer is:12345678

Query, is the above answer set correct?



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Carl W. David
Department of Chemsitry
University of Connecticut
Storrs, Connecticut 06269-4060
(860)486-3217
david@uconnvm.uconn.edu