Construction of Molecular Orbital Diagrams Using the Projection Operator
Watch the lecture video below.
MO Diagrams/SALCs with Projection Operators, BF3
Chemistry 107 Lecture 10 and
MO Diagrams/SALCs with Projection Operators, octahedral ML6
Chemistry 107 Lecture 11
Explanation: (i) The reducible representation method for generating SALCs for H2O is presented. (ii) The projection operator method for generating SALCs for BF3 is presented.
Video 1: YouTube video: https://www.youtube.com/watch?v=9k8J8lMTp8E&index=11&list=PLqOZ6FD_RQ7kGnKLTbdwZ3IGVNXK43k7S, 48 minutes.
pdf Supporting Materials: Chemistry 107 lecture supplements: Projection Operators (9_Ch5_MO Projection Operator.pdf). The projection operator method for generating SALCs for BF3 is presented.
Video 2: YouTube video: https://www.youtube.com/watch?v=t_bzm5NdNhI&index=12&list=PLqOZ6FD_RQ7kGnKLTbdwZ3IGVNXK43k7S, 48 minutes - only the first 28 minutes.
pdf Supporting Materials: Chemistry 107 lecture supplements: Projection Operators (10_Ch5_MO Octahedral.pdf). The projection operator method for generating SALCs for octahedral ML6 compounds is presented.
Introduction to Projection Operator Method H2O (pdf)
Projection Operator Method BF3 (pdf)
Projection Operator Method Octahedral (pdf)
Test your understanding:
Use the projection operator to generate SALCs for
the pi bonding in planar C3H3 molecule - "ProjectionOperator_C3H3" (pdf)
Projection Operator Quiz Solution - "ProjectionOperator_C3H3_soln" (pdf)
Worksheets:
Computational Exercise 5: Projection Operator PtCl4 dianion (pdf) (solutions)
Spartan files to accompany Computational Excercises 5
CE5 PtCl4 dianion (DFT)
Proficiencies:
use the projection operator method to generate molecular orbitals