title: Synthesis of a Neo-Confused Octaphyrin and the Formation of Its Mononuclear Complexes.
abstract: Novel neo-confused octaphyrin(1.1.1.1.1.1.1.0) (1) was synthesized by oxidative ring closure of an octapyrrane bearing two terminal "confused" pyrroles. Crystal structures of its Zn(II) and Cu(II) complexes (2 and 3) show a figure-of-eight conformation with unique mononuclear coordination structures. Photophysical data and theoretical calculations suggest that the neo-confused octaphyrin 1 is a 34π electron conjugated species showing nonaromaticity. Coordination of copper and zinc ions results in the further narrowing of the HOMO-LUMO gaps.
authors.affiliation: Key Laboratory for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology , Shanghai 200237, P. R. China.
authors.forename: Kai
authors.initials: K
authors.lastname: Zhang
authors.affiliation: Key Laboratory for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology , Shanghai 200237, P. R. China.
authors.forename: Junda
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology , Stockholm Se-10691, Sweden.
authors.forename: Xin
authors.initials: X
authors.lastname: Li
authors.affiliation: School of Chemistry & Chemical Engineering, Jiangsu University , Zhenjiang 212013, P. R. China.
authors.forename: Rui
authors.initials: R
authors.lastname: Guo
authors.affiliation: Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology , Stockholm Se-10691, Sweden.
authors.forename: Hans
authors.initials: H
authors.lastname: Ågren
authors.affiliation: School of Chemistry & Chemical Engineering, Jiangsu University , Zhenjiang 212013, P. R. China.
authors.forename: Zhongping
authors.initials: Z
authors.lastname: Ou
authors.affiliation: Center for Molecular Systems, Department of Chemistry and Biochemistry, Graduate School of Engineering, Education Center for Global Leaders in Molecular Systems for Devices, Kyushu University , Fukuoka 819-0395, Japan.
authors.forename: Masatoshi
authors.initials: M
authors.lastname: Ishida
authors.affiliation: Center for Molecular Systems, Department of Chemistry and Biochemistry, Graduate School of Engineering, Education Center for Global Leaders in Molecular Systems for Devices, Kyushu University , Fukuoka 819-0395, Japan.
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Furuta
authors.affiliation: Key Laboratory for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology , Shanghai 200237, P. R. China.
authors.forename: Yongshu
authors.initials: Y
authors.lastname: Xie