title: Control of channel shapes in a microporous manganese(II)-borophosphate framework by variation of size and shape of organic template cations.
abstract: The templated microporous compounds [H2(Templ.)][MnII{B2P3O12(OH)}], [templates: 1,3-diaminopropane, C3H10N2 (DAP); piperazine, C4H10N2 (PIP); 1,4-diazacyclo[2.2.2]octane, C6H12N2 (DABCO)] were prepared under mild hydrothermal conditions. The crystal structures (H2DAP-Mn: Pmc2(1) (no. 26), a=1259.43(5), b=949.86(5), c=1135.92(5) pm, Z=4; H2PIP-Mn: Ima2 (no. 46), a=1257.9(1), b=948.69(8), c=1158.19(8) pm, Z=4; H2DABCO-H2PIP-Mn: Ima2 (no. 46), a=1262.90(7), b=961.05(5), c=1151.42(7) pm, Z=4) are characterized by identical framework connectivities [MnII{B2P3O12(OH)}]2-, but vary in shapes (diameters) of the structural channels depending on the shapes of the templating molecule ions. The situation clearly reflects the directing effect of true templates during endotemplating reactions. The experimental results (preparation, chemical analyses, and X-ray refinements) are supported by detailed ab initio calculations (structure optimizations).
authors.affiliation: Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany.
authors.forename: Ya-Xi
authors.initials: YX
authors.lastname: Huang
authors.forename: Oliver
authors.initials: O
authors.lastname: Hochrein
authors.forename: Dirk
authors.initials: D
authors.lastname: Zahn
authors.forename: Yurii
authors.initials: Y
authors.lastname: Prots
authors.forename: Horst
authors.initials: H
authors.lastname: Borrmann
authors.forename: Rüdiger
authors.initials: R
authors.lastname: Kniep