Pople, J. A. published the artcileMolecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic species, SDS of cas: 359-38-6, the main research area is electronic structure organic; spin densities paramagnetics; paramagnetics spin densities.
A recent version of approx. self-consistent mol. orbital theory (intermediate neglect of differential overlap) is used to calculate electron spin d. distributions and nuclear hyperfine constants in paramagnetic organic radicals and ions. Calculated hyperfine constants agree with exptl. values in most cases. Since all valence electrons are handled explicitly, the method is not restricted to π-electron systems. 26 references.
Journal of the American Chemical Society published new progress about Electron configuration. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, SDS of cas: 359-38-6.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics