- Molecular Spectroscopy -
Discussion Fr 31.5.2002 at 10:30, HR30.1 (Hagenring 30)
http://www.pci.tu-bs.de/aggericke/PC4/Uebungen/
Home work 5
Spectroscopy
of hetero nuclear molecules
Exercise 1: Determining coefficients
Determine approximately (i.e. E·S @aH·S) dthe coefficients cH and cLi for the bonding molecular orbital σLiH = cHjH + cLijLi of LiH. Normalize σLiH. Use the data of home work 4, exercise 3. (αLi = -0,23; αH = -0,39; β = -0,21; S = 0,47)Exercise 2: Spectroscopy of CH, NH and OH
What are the MO electron configurations of CH, NH, and OH in the ground state and in the first excited states?Exercise 3: Construction of a sp2 hybrid
What is the spectroscopic term symbol for these molecular states?
Which transitions between the ground state and the first excited states are allowed?
The first sp2 hybrid is given byConstruct a second hybrid orbital of the formh1 = 1/Ö3 (2s) + Ö(2/3) (2pz)which is normalized and orthogonal with respect to h1.h2 = 1/Ö3 (2s) + c1 (2pz) + c2 (2px)