Question

Determine the representation of the symmetry adapted linear combination (SALC) of the filled 2pz lone pair orbitals on F in BF3.

Express that representation as a combination of irreducible representations.

Answer 1

Point proup of BF3: D3h (since it has a principle C3 axis, 3⊥C2 axes, and a horizontal mirror plane of symmetry).
linear combination (SALC) of the filled 2pz lone pair orbitals on F in BF3.

D3h	E	2C3	3C2	σh	2S3	3σv
Γσ	3	0	1	3	0	1
A1’	1	1	1	1	1	1
E’	2	-1	0	2	-1	0

D3h	E	2C3	3C2	σh	2S3	3σv
Γpz	3	0	-1	-3	0	1
A2’’	1	1	-1	-1	-1	1
E’’	2	-1	0	-2	1	0

Molecular orbital diagram of BF3