Register to reply

How does singlet oxygen work in pericyclics?

by CrimpJiggler
Tags: oxygen, pericyclics, singlet, work
Share this thread:
CrimpJiggler
#1
Oct22-13, 08:55 AM
P: 149

and heres the diagram for the 1O2 dienophile:

Its the 1E+g the one I'm interested in. I see that its single electrons are in a couple of degenerate pi orbitals. I'm having trouble figuring out what the LUMO is here. Does it even matter that I have 2 LUMOs? I kinda suspect, that would make it much more reactive since unpaired electrons are pretty unstable. Is this oxygen singlet species technically a diradical?
Phys.Org News Partner Chemistry news on Phys.org
Chemists eye improved thin films with metal substitution
Essential oils may provide good source of food preservation
Artificial skin flexes when it comes into contact with a solvent vapour
DrDu
#2
Oct22-13, 09:59 AM
Sci Advisor
P: 3,549
The MO diagram for singlet oxygen from wikipedia is not quite correct insofar as it is not a pi_x or pi_y orbital which is doubly occupied in singlet oxygen but rather a ##\pi^*_\pm=\frac{1}{\sqrt{2}}(\pi^*_x\pm i\pi^*_y)## orbital.
So let's say that the ##\pi^*_+## is doubly occupied, then the ##\pi^*_-## is the LUMO.


Register to reply

Related Discussions
Singlet oxygen in combustion-(Why is it not being used)? Chemistry 4
Is oxygen that comes out from a car and regular oxygen the same (exactly identical) General Physics 12
Singlet sharing Atomic, Solid State, Comp. Physics 1
What is a singlet under SU(3)? High Energy, Nuclear, Particle Physics 4
How do i get the singlet state? Quantum Physics 5