Binuclear copper(II) and nickel(II) complexes based on N,N′-bis(3-formyl-5-tert-butylsalicylidene)-1,3-diaminopropan-2-ol: physicochemical and theoretical study

被引：3
|
作者：
Levchenkov, S. I. [1 ]
Shcherbakov, I. N. [2 ]
Popov, L. D. [2 ]
Tupolova, Yu. P. [2 ]
Suponitskii, K. Yu. [3 ]
Mazuritskii, M. I. [2 ]
Kogan, V. A. [2 ]
机构：
[1] Russian Acad Sci, Southern Sci Ctr, 41 Ul Chekhova, Rostov Na Donu 344006, Russia
[2] Southern Fed Univ, Dept Chem, Rostov Na Donu 344090, Russia
[3] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Moscow 119991, Russia
来源：
RUSSIAN CHEMICAL BULLETIN | 2014年 / 63卷 / 03期
基金：
俄罗斯基础研究基金会;
关键词：
Schiff bases; binuclear complexes; magnetochemistry; exchange coupling; quantum chemical calculations; density functional theory; broken symmetry approach; CATECHOLASE-LIKE ACTIVITIES; TRANSITION-METAL-COMPLEXES; DOUBLE BRIDGED DINUCLEAR; MAGNETIC-PROPERTIES; MU-ALKOXO; TETRANUCLEAR COPPER(II); CRYSTAL-STRUCTURE; AB-INITIO; ANTIFERROMAGNETIC INTERACTIONS; ORBITAL COMPLEMENTARITY;
D O I：
10.1007/s11172-014-0490-1
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Binuclear Cu-II and Ni-II complexes with exogenous acetate and pyrazolate bridges were synthesized and studied. It was shown that the mu(2)-coordination of the DMSO molecule in an acetate-bridged Cu-II complex leads to the inversion of the sign of the exchange interaction parameter. Quantum chemical calculations of the geometry of the complexes and the magnetic exchange parameters showed that the role of the DMSO molecule is to stabilize the "distorted" conformation of metallocycles.
引用
收藏
页码：673 / 683
页数：11
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