l-Threonine Deaminase of Rhodospirillum rubrum

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/65547/1/j.1432-1033.1971.tb01490.x.pd

SPIN-ORBIT COUPLING IN X2COX_{2}CO---MOLECULES

Author Institution: Department of Chemistry, Louisiana State UniversityWave functions were obtained for $H_{2}CO$ and its halogen analogs by a charge-and configuration self-consistent Wolfsberg-Helmholz method. Then n-orbital on the oxygen atom appears to be mixed with the carbon (and halogen) p-orbital to a considerable extent. Therefore, one-center terms on the halogens are to be considered in the calculation of spinorbit coupling matrix elements. As a consequence, a rather important heavy-atom effect is predicted on the $(\pi^{\ast}\rightarrow n)$ phosphorescence lifetime of formaldehyde derivatives