Correlation of SiOT (T = Si OR Al) angles and 29Si NMR chemical shifts in silicates and aluminosilicates. Interpretation by semi-empirical quantum-chemical considerations

✍ Scribed by R. Radeglia; G. Engelhardt

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 215 KB
• Volume: 114
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(85)85048-x

✦ Synopsis

The empirical correlation of 2gSi NMR chemical shifts 6 and the mean SIOT (T = Al. 5%) bond angles a in sibcates and alutiosili~tes is explained by a simple quantum-chemical model. A linear mrrelatlon 6 = 6 o + M + b cos a/(cos a -1) is derived, where n is the number of Al atoms in the Si(OSi)q _n(OAl), structural units. 6 o , a and b are constants. The correlation is confirmed by experiment. The 6 correlations with P. set P and sin ($a) proposed rn the hterature are abo con&tent with the model.