|
|||||
|
|
Molecular orbitals of Si2O 7 6? , Si3O 10 8? , etc., and mixed (B,Al,P,Si) m applied to clusters and X-ray spectroscopy data of silicates |
|
| Authors: | Yu P Dikov E I Debolsky Yu N Romashenko S P Dolin A A Levin |
| Institution: | 1. IGEM, Academy of Sciences of the USSR, Staromonentny 35, 109017, Moscow, USSR 2. Glass State Institute, Dusheuskaja 17, 111112, Moscow, USSR 3. Institute of General and Anorganic Chemistry, Academy of Sciences of the USSR, Leninsky prospect 31, 117071, Moscow, USSR |
| Abstract: | The Si, Al LII, III and OKα emission and quantum yield spectra were obtained for 24 silicates. It was found that in minerals of a homogeneous anion composition the Si LII, III line has double-humped structure, and when in addition to SiO 4 4? ions of other composition (BeO 4 6? , AlO 4 5? etc.) are present it has triple-humped structure. The process of crystal-glass transition was studied by X-ray spectroscopy. The result is that in spite of the original form of the Si LII, III line of the mineral this line changes its structure in glass and exhibits a typical double-humped structure. The CNDO/2 approach was used to calculate the electronic structure of basic structural groups of silicates from SiO 4 4? to Si5O 16 12? by replacing one or two of the Si atoms by Be, B, Al and P. A qualitative interpretation of the X-ray spectra is presented. |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ | |