## Abstract The title compound with approximate composition Na~4~Ge~7.68~Si~1.32~O~20~ is hydrothermally prepared from a GeO~2~/xH~2~O/5en/2βmethyl pentanethylenediamine/yNaSiO~3~Β·9H~2~O (x = 35β46; y = 0.1β0.5) mixture (autoclave, 160 Β°C, 7 d) and characterized by powder and single crystal XRD.
Si modified Ge10 cluster: the preparation and characterization of single crystal Na4(Ge,Si)9O20
β Scribed by Peng-Yan Xiao; Tie-Zhen Ren; Zhi-Qiang Wang; K. E. Christensen
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 183 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0232-1300
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β¦ Synopsis
Ge 10 cluster, Na 4 (Ge,Si) 9 O 20 , hydrothermal.
A Si modified Ge 10 cluster with structure Na 4 (Ge,Si) 9 O 20 (denoted as HUT-1) was synthesized by hydrothermal synthesis at 160 Β°C with a sodium silicate source. The compound was characterized by single crystal, powder X-ray diffraction and TGA-DSC analysis. HUT-1 crystallizes in space group I4 1 (80) with calculated unit cell (a=14.966(5) Γ , c=7.343(2) Γ , V=1644.8(9) Γ 3 ), which has the same structure as Na 4 Ge 9 O 20 . HUT-1 has a high Si/Ge ratio with an approximate formula of Na 4 Ge 7.68 Si 1.32 O 20 . Single crystal X-ray structure refinements together with results from X-ray powder diffraction (XRPD) confirm the occupancy of Si at two tetrahedral sites.
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## Abstract Openβframework germanates show interesting pore structures due to their flexible building units. Germanates with different topology built from the Ge~9~ cluster can be prepared in several amine systems. This paper reports, the Si modified germanate ICMM6 (denoted as HUTβ2) prepared in e
## Abstract For Abstract see ChemInform Abstract in Full Text.
The ab initio electronic structure calculations at the MP2 and the Becke Ε½ . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ε½ . energies of the XH and XH X s C, Si, Ge