Question

For the compound MX5, which has C4v coordination, determine all the vibrations. Then determine which are stretching, bending, IR active and Raman active. determine which orbitals participate in bonding. Assume only sigma bonding is possible. determine which orbitals should be hybridized in order to form this type of structure.

Please show all your work and explain.

thank you

Answer 1

C4v	E	2C4 (z)	C2	2v	2d	linear functions, rotations	quadratic functions	cubic functions
A1	+1	+1	+1	+1	+1	z	x2+y2, z2	z3, z(x2+y2)
A2	+1	+1	+1	-1	-1	Rz	-	-
B1	+1	-1	+1	+1	-1	-	x2-y2	z(x2-y2)
B2	+1	-1	+1	-1	+1	-	xy	xyz
E	+2	0	-2	0	0	(x, y) (Rx, Ry)	(xz, yz)	(xz2, yz2) (xy2, x2y) (x3, y3)

Hydridization of MX5 : Octahedral (M surronded by 4 X in the equitorial position and 1 X and one lone pair at the axial position.)

IR active modes : 3N-6 = 12
IR active modes: A1, E
Raman active modes: A1, B2, E