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1.提出计算无机含氧酸的pK值的经验公式。计算结果与实验值极为接近。 2.由于公式中包含有各项结构因素如电负性值、配键、双键、OH基、已电离的OH基等。讨论了各项因素对酸性强度的影响,并计算出其影响的大小。 3.还计算了一般在前人无法计算的OH,H_2O,H_2O_2,H_2S_2O_3,H_2N_2O_2,H_2CrO_4,HSO_3Cl的pK值。 4.提供计算3价金属离子水解及其氢氧化物酸式电离的pK值的经验公式,计算结果与实验值非常接近。也讨论了结构因素对酸性强度的影响。
1. An empirical formula for calculating the pK value of inorganic oxygen acids is proposed. Calculation results and experimental values are very close. 2. As the formula contains various structural elements such as electronegativity, with key, double bond, OH group, ionized OH group. The influence of various factors on the acid strength was discussed and the size of the influence was calculated. The pK values of OH, H_2O, H_2O_2, H_2S_2O_3, H_2N_2O_2, H_2CrO_4, and HSO_3Cl which were generally not calculated by previous studies were also calculated. 4. Provide an empirical formula for calculating the pK value for hydrolysis of trivalent metal ions and their acid ionization of hydroxide, the calculated results are very close to the experimental values. The effect of structural factors on acid strength is also discussed.