TY - JOUR
T1 - Synthesis and characterization of a new layered aluminophosphate [Al3P4O16][(CH3)2NHCH 2CH2NH(CH3)2][H3O]
AU - Yan, Wenfu
AU - Yu, Jihong
AU - Li, Yi
AU - Shi, Zhan
AU - Xu, Ruren
PY - 2002/9
Y1 - 2002/9
N2 - A new layered aluminophosphate, denoted AIPO-CJ12, has been synthesized in the system Al(OPri)3-H3PO4- tetramethylethylenediamine-triethyleneglycol and its structure solved by single-crystal X-ray diffraction analysis. It is further characterized by X-ray powder diffraction, ICP, TG, DTA, and elemental analyses. The compound has an empirical formula of [Al3P4O16][(CH3)2NHCH 2CH2NH(CH3)2][H3O], and crystaollizes in the triclinic space group P-1 (No. 2) with a = 8.9907(6) Å, b = 9.8359(6) Å, c = 14.5566(8) Å, α = 75.872(3)°, β = 88.616(3)°, γ=63.404(3)°, Z=2, R1=0.0451, and wR2 =0.1094. The alternation of tetrahedral AlO4 and PO3 (= O) units forms a sheet structure with a 4 × 6 × 8 network. The inorganic layers stacked in an AAAA sequence are held together by the protonated organic amine and water molecules. The co-templating role of the water molecules is studied by the calculation of the nonbonding host-guest interaction energies through a computational simulation.
AB - A new layered aluminophosphate, denoted AIPO-CJ12, has been synthesized in the system Al(OPri)3-H3PO4- tetramethylethylenediamine-triethyleneglycol and its structure solved by single-crystal X-ray diffraction analysis. It is further characterized by X-ray powder diffraction, ICP, TG, DTA, and elemental analyses. The compound has an empirical formula of [Al3P4O16][(CH3)2NHCH 2CH2NH(CH3)2][H3O], and crystaollizes in the triclinic space group P-1 (No. 2) with a = 8.9907(6) Å, b = 9.8359(6) Å, c = 14.5566(8) Å, α = 75.872(3)°, β = 88.616(3)°, γ=63.404(3)°, Z=2, R1=0.0451, and wR2 =0.1094. The alternation of tetrahedral AlO4 and PO3 (= O) units forms a sheet structure with a 4 × 6 × 8 network. The inorganic layers stacked in an AAAA sequence are held together by the protonated organic amine and water molecules. The co-templating role of the water molecules is studied by the calculation of the nonbonding host-guest interaction energies through a computational simulation.
KW - Aluminophosphate
KW - Computational simulation
KW - Layered
KW - Structure
KW - Synthesis
UR - http://www.scopus.com/inward/record.url?scp=0036739748&partnerID=8YFLogxK
U2 - 10.1006/jssc.2002.9511
DO - 10.1006/jssc.2002.9511
M3 - Article
AN - SCOPUS:0036739748
SN - 0022-4596
VL - 167
SP - 282
EP - 288
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
IS - 2
ER -