中國(guó)有色金屬學(xué)報(bào)(英文版)
Transactions of Nonferrous Metals Society of China
| Vol. 3 No. 3 September 1993 |
EFEECT OF METALLIC CATIONS ON Si-O BONDS IN SILICATES
Yin Zhoulan ;Gao Xiaohui
（Central-South University of Technology; Changsha 410083; China）
Abstract:The effect of metallic cations on the Si-O(br) bond and the Si-O(ter) bond was studied with CNDO/2 MO calculations. The characteristics of them were discussed, which were found to vary with the bonding and coordi nation situation of oxygen as well as the effect of metallic cations on oxygen. The conclusions obtained may be well used in the fields of mineralogy, geochemistry, silicate materials, pyrometallurgy and so on.
Key words: silicates Si-O bonds metallic cations quantum chemistry
