TY - JOUR
T1 - [C6N2H14]0.5·[MnAl 3(PO4)4(H2O)2]
T2 - A Manganese(II)-Substituted Aluminophosphate with AFN Topology
AU - Shi, Lei
AU - Li, Jiyang
AU - Yu, Jihong
AU - Li, Yi
AU - Ding, Hong
AU - Xu, Ruren
PY - 2004/4/19
Y1 - 2004/4/19
N2 - A new manganese(II)-substituted aluminophosphate, [C6N 2H14]0.5·[MnAl3(PO4) 4(H2O)2], denoted as MnAPO-14, has been synthesized hydrothermally in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as the structure-directing agent. Its structure is determined by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, ICP, and TG analyses. The structure of MnAPO-14 is built up by MnO4(H2O)2 octahedra, AlO4 tetrahedra, and PO4 tetrahedra via Al-O-P and Mn-O-P linkages. Its framework is analogous to that of aluminophosphate zeotype AFN in which 25% of the aluminum sites are replaced by Mn(II) atoms. The diprotonated DABCO cations reside in the eight-membered ring channels. Computational simulations indicate that the substitution site of Mn to Al is determined by the host-guest interaction. Crystal data: [C6N2H14]0.5· [MnAl3(PO4)4(H2O)2], triclinic P1 (No. 2), a = 9.5121(4) Å, b = 9.8819(3) Å, c = 12.1172(4) Å, α = 70.533(2)°, β = 73.473(2)°, γ = 82.328-(2)°, Z = 2, R1 = 0.0586 (I > 2σ(I)), and wR2 = 0.1877 (all data).
AB - A new manganese(II)-substituted aluminophosphate, [C6N 2H14]0.5·[MnAl3(PO4) 4(H2O)2], denoted as MnAPO-14, has been synthesized hydrothermally in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as the structure-directing agent. Its structure is determined by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, ICP, and TG analyses. The structure of MnAPO-14 is built up by MnO4(H2O)2 octahedra, AlO4 tetrahedra, and PO4 tetrahedra via Al-O-P and Mn-O-P linkages. Its framework is analogous to that of aluminophosphate zeotype AFN in which 25% of the aluminum sites are replaced by Mn(II) atoms. The diprotonated DABCO cations reside in the eight-membered ring channels. Computational simulations indicate that the substitution site of Mn to Al is determined by the host-guest interaction. Crystal data: [C6N2H14]0.5· [MnAl3(PO4)4(H2O)2], triclinic P1 (No. 2), a = 9.5121(4) Å, b = 9.8819(3) Å, c = 12.1172(4) Å, α = 70.533(2)°, β = 73.473(2)°, γ = 82.328-(2)°, Z = 2, R1 = 0.0586 (I > 2σ(I)), and wR2 = 0.1877 (all data).
UR - http://www.scopus.com/inward/record.url?scp=16544372486&partnerID=8YFLogxK
U2 - 10.1021/ic035329a
DO - 10.1021/ic035329a
M3 - Article
AN - SCOPUS:16544372486
SN - 0020-1669
VL - 43
SP - 2703
EP - 2707
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 8
ER -