摘要
根据单晶结构参数,采用分子轨道近似方法的CNDO/2方案,获得了丝光沸石(K_8AI_8Si_(40)O_(06)·nH_2O)中四种不等价铝T_1,T_2,T_3和T_4的相对稳定性为T_1<T_2<T_4<T_8。
The cluster of a five-ring which involves four kinds of unequivalent sites is ta-ken from X-ray single crystal parameter of K^+-mordenite. The calculation reultsby means of CNDO/2 show that the stability order of aluminium is T_1<T_2<T_4<T_3.
出处
《复旦学报（自然科学版）》
CAS
CSCD
北大核心
1990年第1期49-51,共3页
Journal of Fudan University：Natural Science
关键词
铝
稳定性
丝光沸石
量子化学
quantum chemistry, molecular sieve, framework, aluminium, stability
mordenite.
