Magnetic exchange in [Mn2(μ-O)3(tmtacn)2]2+:: Metal-metal bonding or superexchange?

被引：17

作者：

Delfs, CD ^{[1
]}

Stranger, R ^{[1
]}

机构：

[1] Australian Natl Univ, Dept Chem, Canberra, ACT 0200, Australia

来源：

INORGANIC CHEMISTRY | 2000年 / 39卷 / 03期

关键词：

D O I：

10.1021/ic990790h

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A computational study of the tris-mu-oxo-bridged manganese dimer [Mn-2(mu-O)(3)(NH3)(6)](2+) as a model for [Mn-2(mu-O)3(tmtacn)(2)](2+) (tmtacn = N',N",N"'-trimethyl-1,4,7-triazacyclononane) has been undertaken to investigate the magnetic coupling in this complex. Although the complex has a very short Mn-Mn distance, 2.3 Angstrom, and a large antiferromagnetic exchange constant, 2J(ab) = -780 cm(-1), the calculations reveal that the magnetic coupling is dominated by superexchange via the mu-oxo bridges and that direct Mn-Mn interaction is small.

引用

页码：491 / 495

页数：5

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