量子化学EHMO计算钯萃合物的成键

Bonding Study on the Extracted Complex of Palladium with EHMO of Quantum Chemistry

萃合物［（ｎ－Ｃ＿８Ｈ＿１７）＿２ＮＨＣＨ＿２ＣＨ＿２ＯＨ］＿２ＰｄＣｌ＿４的成键情况和萃取的离子缔合机理已被确定。本文采用计算机进行量子化学ＥＨＭＯ法计算进一步确定上述机理。

The bonding condition of extracted complex [(n-C_8H_17)_2NHCH_2 CH_2OH]_2 PdCl_4 is discussed on the basis of its IR,UR,NMR,and element analysis.The extraction mechanism of PdCl￣2-_4 with(n-C_8H_17)_2 NCH_2CH_2 OH is regarded as ion-association. In order to discuss the application of the computer in chemical field,this paper discussed the bonding condition of the extracted complex of palladium with EHMO,the ion association mechanism was testified.A new method for the bonding condition study of compounds was provided.