# Molecular Orbital Diagram for PF3 using the 3s and 3p atomic orbitals of phosphorous and the 2s and 2p

Molecular Orbital Diagram for PF3 using the 3s and 3p atomic orbitals of phosphorous and the 2s and 2p

atomic orbitals of each fluorine atom.

1.        What is the point group symmetry of PF3?

2.        What symmetry labels are used for each of the atomic orbitals on phosphorous?

3s =

3px =

3py =

3pz =

3.        Consider the 2s atomic orbitals of the three fluorine atoms.

a) Determine a reducible representation for how these orbitals respond under the point group symmetry elements that are present under the point group that you chose.

b) Reduce the representation that you determined in part (a).

4.        Consider the 2p atomic orbitals on each of the three fluorine atoms.

a) Determine a reducible representation for how these 2p atomic orbitals respond under the point group symmetry elements that are present under the point group that you chose.

b) Reduce the representation that you determined in part (a).

5.        Assemble your Molecular Orbital Diagram. Place the phosphorous atom on the left side and the Ligand Group Orbitals (a set of 2s orbitals and a set of 2p atomic orbitals) on the right side. The exact location of the orbitals on the energy scale is not important. What is important is that you have the proper label and number of MO’s in the center.

15 # P ( 3SP ) F (2p) (ai)(3 PX ) ( 3 py) ( 3p2 )5 4 ( B p ) ( F ( 2 p ) ) (e)0 0 0(e ) Re) ( a, )lone pair (7# )IT ( in plane ) (a 2 )6 F ( 2p ) Tunb ( e )000 000 0002p3 x 2 px + 3x 2…

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