Synthesis, structural characterization, and molecular modeling of dodecaniobate Keggin chain materials

被引:138
作者
Bonhomme, F
Larentzos, JP
Alam, TM
Maginn, EJ
Nyman, M
机构
[1] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA
[2] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA
关键词
D O I
10.1021/ic048847+
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Four new isostructural one-dimensional dodecaniobate Keggin materials, Na-12[Ti2O2][TNb1 2O40]-xH(2)O and Na-10[Nb2O2][TNb12O40]-xH(2)O with T = (Si or Ge), have been synthesized hydrothermally using a Lindqvist-ion salt, Na-7 [Nb6O19H]-15H(2)O, as the precursor. Their structure, consisting of chains of Keggin ions [TNb12O40](16-) linked by [Ti2O2](4+) or [Nb2O2](6+) bridges, was solved ab initio from powder diffraction data. The location of the charge-balancing sodium atoms and the water molecules was further investigated by molecular simulations. These compounds were also characterized by IR and solid-state H-1, Si-29, and Na-23 MAS NMR spectroscopies. The structural relationships between these and related phases based on similar Keggin ion building units are discussed.
引用
收藏
页码:1774 / 1785
页数:12
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