金属醇盐Sol-Gel法制备YBCO的化学动力学
来源期刊：中南大学学报(自然科学版)1992年第2期
论文作者：尹周澜 高孝恢 向世明 林道德
文章页码：232 - 237
关键词：金属醇盐; 水解反应; 量子化学; 动力学分析;YBa2Cu3O7-δ
Key words：the hydrolysis of metal alkoxides; quantum chemistry; kinetics;YBa2Cu3O7-δ
摘 要：采用CNDO/2量子化学计算方法,计算了Y,Ba及Cu的不同醇盐和水的分子结构特征,根据前线轨道和有机化学反应的关系,得到了Y,Ba及Cu的醇盐水解速度常数的相对大小,从而为金属醇盐水解法制备YBa2Cu3O7-δ高温超导超纯细粉提出适当实验条件.
Abstract: The structural properties of different alkoxides of Y, Ba and Cu are obtained by CNDO/2 quantum chemical calculations. Their relative rate coefficients kM of the hydrolysis reactions are calculated according to the relationship between frontier orbitals and organic chemical reactions. Proper experimental corditiors for the preparation of homogeneous ultra-purity, submicro high-Tc YBa2Cu3O(7-δ) supercorductors are proposed based on the above calculation results.
