Four organo-templated structures with DFT-zeotype topology
- Autor(en)
- Ljiljana Karanovic, Sabina Kovac, Dejan Poleti, Tamara Đorđević
- Abstrakt
Four novel microporous compounds H2(C2H8N2)(ZnAsO4)2 (1), H2(C2H8N2)(Co0.1Zn0.9AsO4)2 (2),H1.8(C2H8N2)(Fe0.1Zn0.9AsO4)2 (3) and H2(C2H8N2)(ZnPO4)2 (4) containing ethylenediammonium cation,H2(C2H8N2)2þ (H2en2þ), and ethylenediamine molecule, C2H8N2 (en), have been hydrothermally synthesized.While 1e3 exhibit twinned DFT-zeotype structure and crystallize in P42/n, 4 is characterized bythe appearance of new orthorhombic space group Pcca, previously not observed among the known DFTzeotypecompounds. The symmetry relationships analyses revealed the extended B€arnighausen tree. Themain feature of the cobalt blue and reddish brown compounds 2 and 3 is their novel chemicalcomposition which was confirmed by SEM/EDX analysis. In the structure of 1, H-atoms positions, previouslynot reported, were calculated and refined to reasonable positions using riding model.The DFT anionic frameworks of 1e4 are characterized by 4M, 6M and 8M tetrahedral rings, whichproduce three mutually perpendicular 8M ring channels. At the intersections of these channels H2en2þcations are accommodated and hydrogen-bonded to the adjacent oxygen atoms of the framework. Onlyin 3, H2en2þ is partly substituted by electroneutral en to maintain charge compensation. The singlecrystalRaman spectra and Fourier transform infrared (FTIR) absorption spectra were interpreted onthe basis of characteristic vibrations of AsO4 and PO4 groups, as well as of NH3, NH2 and CH2 groups fromthe H2en2þ cation or en molecule. The results of lattice distortion and similarity analyses showed that the DFT-zeotype structures, whichincorporate larger tetrahedral cations, have a higher degree of lattice distortion and are less similar to theideal structural models derived from the aristotype.
- Organisation(en)
- Institut für Mineralogie und Kristallographie
- Externe Organisation(en)
- University of Belgrade
- Journal
- Microporous and Mesoporous Materials
- Band
- 220
- Seiten
- 198-214
- Anzahl der Seiten
- 17
- ISSN
- 1387-1811
- DOI
- https://doi.org/10.1016/j.micromeso.2015.08.033
- Publikationsdatum
- 09-2015
- Peer-reviewed
- Ja
- ÖFOS 2012
- 104015 Organische Chemie, 104011 Materialchemie, 105113 Kristallographie, 104024 Röntgenstrukturanalyse
- Schlagwörter
- ASJC Scopus Sachgebiete
- Condensed Matter Physics, Mechanics of Materials, Chemistry(all), Materials Science(all)
- Link zum Portal
- https://ucrisportal.univie.ac.at/de/publications/four-organotemplated-structures-with-dftzeotype-topology(5f7826a0-6121-4758-a235-769ffe8484f4).html