Raman active vibrations of aluminosilicates

Raman spectra of aluminosilicate minerals, namely kyanite, andalusite, and sillimanite and K2O-Al2O3-SiO2 glasses were recorded. Four alumino-silicon tetrahedral model clusters were calculated by self-consistent (SCF) molecular orbital ab-ini-tio calculation of the quantum chem (QC) method. The resu...

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Published inGuang pu xue yu guang pu fen xi Vol. 26; no. 10; p. 1871
Main Authors Pan, Feng, Yu, Xue-hui, Mo, Xuan-xue, You, Jing-lin, Wang, Chen, Chen, Hui, Jiang, Guo-chang
Format Journal Article
LanguageChinese
Published China 01.10.2006
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Summary:Raman spectra of aluminosilicate minerals, namely kyanite, andalusite, and sillimanite and K2O-Al2O3-SiO2 glasses were recorded. Four alumino-silicon tetrahedral model clusters were calculated by self-consistent (SCF) molecular orbital ab-ini-tio calculation of the quantum chem (QC) method. The result shows a decrease tendency in Raman frequencies in the 800-1200 cm(-1) frequency region with increase in four-coordinated Al content, which is assigned to the Si--Onb symmetry stretching vibrations. The Raman spectra in the 700-800 cm(-1) frequency region is attributed to Al-Onb symmetry stretching vibrations.
ISSN:1000-0593