24 Jul Chemistry
Take Home (Due at 5:00 p.m. on 3/31/2016)
1. For each of the following geometries:
A Perfect octahedron
B Tetragonally distorted octahedron – elongation along the one of the C4 rotation axis.
C Trigonally distorted octahedron – elongation along the one of the C3 rotation axis
Answer the followings:
i State the group subgroup relations between the three geometries.
ii Identify the point groups
iii Assign symmetry species for orbitals 3d, 4s, 4p in the first row transition metals.
6 Pts
2. [Ni(CN)5]3− has square pyramidal geometry (C4v). Derive a reducible representation for the hybrid orbitals on Ni2+ ion and determine the sets of specific atomic orbitals that can be combined to form these ho’s.
5 Pts
3. Determine symmetry species for the SALCs required for the formation of Br – F bonds by the 5 F atoms in BrF5 (C4v). 3 Pts
4 Suppose a single transition metal ion (dn configuration) was trapped inside a bucky ball to form an endohedrally doped fullerene, M@C60.
i How would you expect the energies of the d orbitals to be affected by this environment? Note: buckministerfullerene belongs to the Ih point group.
ii List the symmetry species for all the valence orbitals in this metal ion: s ; px , py , pz ; dz2 , dx2–y2 , dxy , dxz , dyz.
2 Pts
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