Construct an MO diagram for a linear H 2 O molecule by analogy with BeH 2 in

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Construct an MO diagram for a linear H2O molecule by analogy with BeH2 in Figure 5.17.

(a) Determine the degeneracy and orbital character of the HOMO and the LUMO.

(b) Identify the orbitals on oxygen that participate in bonding to hydrogen.

(c) Now distort the molecule by bending the H–O–H bond and consider how this impacts the MO diagram. How does the orbital character of the HOMO(s) change?

(d) Which oxygen orbitals now participate in bonding?

(e) Is this distortion an example of a firstor second-order Jahn–Teller distortion?

Figure 5.17

energy L H-Be-H Be 2p Z  Be 2s 14 ou  og The H 1s SALCS.

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Solid State Materials Chemistry

ISBN: 9780521873253

1st Edition

Authors: Patrick M. Woodward, Pavel Karen, John S. O. Evans, Thomas Vogt

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