Question

2) HO adopts C2v symmetry (a) Create SALCs for the H atoms and, using the Czv character table on the attached sheet, derive representations for each SALC and then assign the appropriate symmetry. (b) Assign the symmetry for the orbitals on the central O atom, again using the character table (c) Create a reasonable MO diagram for H O and label appropriately (02s:-32 eV O2p:-16 eV, Hls 4 cV) You may assume the s-orbital on O is functionally non-bonding. (d) Indicate the bond order for the molecule. (18 points)

Answer 1

H20: Point group C2 SALCs consist of H 1s orbitals only Designate a coordinate system.

TABLE 5-2 Representations for Cy symmetry operations for hydrogen atoms in water C. Charocter Tabie AT NO-に1tl.for the idenity oper 0川H.1, for C2 rotation illH.İ. for ov reflection (xz plane) for a, reflection (yz plane) The reducible representation r A' C, σ_Tyt) σ.xz) 0 Hydrogen orbitals -1 〇〇〇〇〇〇〇〇 Oxygen orbitals Characters Characters P. A 0 0 0 O Characters Characters

The resulting MO scheme: 0 2p 2a1 CV1) H,O