In consideration of the calculation measures and the purpose of study , we selected the simple molecule model 5 in the above models and studied the relation between magnetism and structure . the molecular antiferromagnetism increases with the increasing of the bridging angle o - c - o ( o ) . when 0 > 118 . 623 degrees , the molecular antiferromagnetism increases with the decreasing of the spin density on the cu in its triplet state 考虑到计算量及研究目的，在上面的模型中选取了较简单的分子模型5 ，来研究其磁构效关系，分子的反铁磁性随桥联角o - c - o夹角的增大而增强，在大于118 . 623度时，分子的反铁磁性随三重态铜上自旋密度的减小而增强，但当小于118 . 623度，分子反铁磁性随三重态铜上自旋密度的减小反而减小，在文中，我们解释了这种现象。
