Stability prediction of Cu2+, Ni2+ and Zn2+ N-salicylidene-aminoacidato complexes by models based on connectivity index 3 χ v

被引:5
|
作者
Milicevic, Ante [1 ]
Raos, Nenad [1 ]
机构
[1] Inst Med Res & Occupat Hlth, HR-10001 Zagreb, Croatia
来源
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY | 2014年 / 12卷 / 01期
关键词
Schiff bases; Trasition metal chelates; Topological indices; Regression models; METAL-COMPLEXES; COORDINATION-COMPOUNDS; COPPER(II) COMPLEXES; CRYSTAL-STRUCTURES; SCHIFF-BASES; CONSTANTS; NI(II); CU(II); ACIDS; SALICYLALDEHYDE;
D O I
10.2478/s11532-013-0345-x
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
This paper presents models for the estimation of stability constants (K (1) and beta (2)) of nickel(II), copper(II) and zinc(II) mono- and bis-complexes with 5 Schiff bases (salicylideneglycine, salicylidenealanine, salicylideneserine, salicylidenephenylalanine, and salicylidenetyrosine). The models were based on the molecular-graph theory and valence molecular connectivity index of the 3(rd) order, (3)chi (v) , derived from it. Univariate linear models were developed for each metal separately, while in the common models for two and three metals, the indicator variable, In, was introduced. The standard error of models for the log K (1) constant was less than 0.12, while for log beta (2) models, the S.E. did not exceed 0.14.
引用
收藏
页码:74 / 79
页数:6
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