title: An anomalous spin-polarization mechanism in high-spin manganese(III) porphyrin complexes.
abstract: Confluence of NMR for paramagnetic molecules and the complementary density functional theory calculations reveals an anomalous spin-polarization mechanism that is maximized in high-spin d(4) complexes. It is critical to realize this mechanism to correctly rationalize the spin-density distribution around the porphyrin macrocycle.
authors.affiliation: Department of Chemistry, National Chung-Hsing University, Taichung, Taiwan 402, Republic of China. rjcheng@mail.nchu.edu.tw
authors.forename: Ru-Jen
authors.initials: RJ
authors.lastname: Cheng
authors.forename: Shu-Hao
authors.initials: SH
authors.lastname: Chang
authors.forename: Kuo-Cheng
authors.initials: KC
authors.lastname: Hung