Question

Could you show how to do (d) step by step, please?

AO = Atomic orbital

MO = Molecular orbital

(L)GO= (Ligand) Group orbital

2. TaHs has a square pyramidal geometry and a Cev symmetry. (a) Assign x, y, z coordinates on the atoms: - Z axis on central Ta atom is the principal rotation axis (z axes on other atoms are colinear) - X, y axes on central Ta atom match Ta-H bonds (x, y axes on other atoms are colinean - O, planes go through Ta-H bonds - Os planes go in-between Ta-H bonds (b) Construct a (reducible) representation I for the 1s orbitals on the outer H atoms. Ca r(15) E 2C. C₂ 200 200 (c) Use the Cav character table to reduce I to its combination of irreducible representations. Each irreducible representation that is part of r has the symmetry of one of the LGOs. T-

Answer 1

ssmate From cho one can There are 5 is orbitals. E lalu Al 6 zor1200 X E = 5 Xey) = = Total no of orbitals = Rotation matsin will change everything encept z charter of u -atom of a byramid Total no of atoms unmoled v=3 We of will take the character table dot product with each row n (A) = 1 (5x2 + 2xy + 3x2 + 2x1) = 2 n (B) = ₃ (Sxs t 1-1 + 1x1+ 3x-1 + 2x1) 2 A1+B + E

From character Table : one can see : 2 . Al can overlap with pz and dz of Ta dret Be will ourlop with E orbital fet can Interact with (Pn, ly) Anz, dyz)