Knowledge Bank

Recent extended Huckel calculations of large molecules have made available workable wavefunctions for both $\sigma$ and $\pi$ type molecular orbitals. This makes it possible to calculate the effect of a paramagnetic metal on the spectrum of the parent compound. We have examined the cases of Cobalt, Copper, and paramagnetic Nickel, and have obtained absorption intensities and the corresponding radiation lifetimes. The wavefunctions have also been checked against reported spin resonance slittings and these findings will be reported.