title: 15N solid-NMR and X-ray diffraction studies of N-confused porphyrins.
abstract: Using (15)N high-resolution solid-state NMR and X-ray diffraction, the structure of N-confused porphyrin (NCP) in the solid state was studied. A 1D (15)N magic angle spinning (MAS) experiment and a 2D dipolar assisted rotational resonance (DARR) (15)N-(15)N spin exchange experiment of N-confused tetratolylporphyrin (Tol) crystallized from CH(2)Cl(2)/hexane indicate that Tol is the inner 3H-type tautomer and has two magnetically different molecules in the unit cell. Further, a FSLG-2 & 4macr; 2 (1)H-(15)N dipolar recoupling NMR measurement indicates no fast ring flipping motion which is consistent with the planar structure in the X-ray analysis. The planarity of Tol is ascribed to crystal packing enforced by pi-pi stacking and CH-pi interactions.
authors.affiliation: Department of Chemistry, Graduate School of Science, Kyoto University, Kyoto, Japan.
authors.forename: Masashi
authors.initials: M
authors.lastname: Fukuchi
authors.forename: K
authors.initials: K
authors.lastname: Takegoshi
authors.forename: Tomoya
authors.initials: T
authors.lastname: Ishizuka
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Furuta