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在配合物1中，Mn3+[d8，t2g3eg]離子是高自旋的，由于其 軌道的能量最高，四個未成對電子分別占據(jù)dxy（t2g）、dxz（t2g）和dyz（t2g）和 （eg）軌道。因此，根據(jù)Kahn軌道模型，配合物1中的Mn3+離子之間通過氧原子橋的磁相互作用是鐵磁耦合（t2g＋eg）和反鐵磁耦合（t2g＋t2g）共存，但反鐵磁耦合占主導(dǎo)地位。另外，根據(jù)疊氮酸根的自旋極化理論，該配合物Mn3+離子之間通過EO橋聯(lián)的疊氮酸根還可能存在鐵磁耦合作用，但通常這種鐵磁耦合相互作用很弱，不足以彌補(bǔ)Mn3+離子之間通過氧原子橋的凈反鐵磁耦合貢獻(xiàn)，因此配合物1呈現(xiàn)出總的反鐵磁耦合作用 Due to the orbit of the high-spin Mn3+[d8，t2g3eg] ions of complex 1 have a highest energy, the four unpaired electron occupied the four orbits of dxy (t2g), dxz (t2g), dyz (t2g) and (eg), respectively. Based on the Kahn orbit model, the magnetic interactions between Mn3+ ions of complex 1 through oxygen atom bridging are ferromagnetic (t2g＋eg) and antiferromagnetic (t2g＋t2g) coupling coexist, but the antiferromagnetic coupling is dominate. In addition, according to the spin polarization theory of the azido,there maybe exist ferromagnetic coupling of azido through EO-birdged between Mn3+ of complex 1, but in general the ferromagnetic coupling effect is too much weak to atonement the net contribution of antiferromagnetic coupling bridged by oxygen atom between Mn3+ ion. As a result, the complex 1 shows a overall antiferromagnetic coupling effect. |
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| Mn3 + [d8, t2g3eg] ions in complex 1 are high spin and its orbite has the highest energy , the four unpaired electrons occupied dxy (t2g), dxz (t2g) ,dyz (t2g) and (eg) track respectively.According to Kahn orbit model , complex 1 Mn3 + ions' magnetic interaction between oxygen atoms of the bridge is ferromagnetic coupling (t2g + eg) and antiferromagnetic coupling (t2g + t2g) coexist with antiferromagnetic coupling domination. According to the spin polarization theory of the azido,there may be ferromagnetic coupling of azido through EO-birdged between Mn3+ of complex 1.In general the ferromagnetic coupling effect is so weak that the net antiferromagnetic coupling bridged by oxygen atom between Mn3+ ion can not be made up for and complex 1 exhibit a total antiferromagnetic coupling. |
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