title: An isocyanide probe for heme electronic structure: bis(tert-butylisocyanide) complex of diazaporphyrin showing a unique (dxy)2(dxz, dyz)3 ground state.
abstract: Isocyanide-bound model hemes always adopt the (dxz, dyz)4(dxy)1 ground state, however, we have found that the replacement of porphyrin by diazaporphyrin leads to the formation of an unprecedented low-spin bis(tert-butylisocyanide) complex with the (dxy)2(dxz, dyz)3 ground state.
authors.affiliation: Department of Chemistry, School of Medicine, Toho University, Ota-ku, Tokyo 143-8540, Japan. yohgo@med.toho-u.ac.jp
authors.forename: Yoshiki
authors.initials: Y
authors.lastname: Ohgo
authors.forename: Saburo
authors.initials: S
authors.lastname: Neya
authors.forename: Hidehiro
authors.initials: H
authors.lastname: Uekusa
authors.forename: Mikio
authors.initials: M
authors.lastname: Nakamura
mesh_terms: D004583:Electrons; D005290:Ferric Compounds / Q000737:chemistry*; D006418:Heme / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods / Q000592:standards; D008665:Metalloporphyrins / Q000737:chemistry*; D009570:Nitriles / Q000737:chemistry*; D011789:Quantum Theory; D012015:Reference Standards; D013696:Temperature
chemical_list: D005290:Ferric Compounds; D008665:Metalloporphyrins; D009570:Nitriles; D006418:Heme