五配位錯体における配位子場分裂の歪みの効果

常田旦, 中野百恵, 岩倉正訓, 堤勇旗, 石井知彦, 坂根弦太, 小笠原一禎

配位子場分裂, 金属錯体, 電子状態
Distortion of the metal complexes can make, a change of the magnetism by changing of the ligand field splitting of a d-orbital of the central metal ion. This phenomenon can be explained by a ligand field theory. Five degenerated d-orbitals are divided by a ligand. In an octahedral symmetry, if there are 4 to 7 d-electrons (d4-d7), the divided orbitals may select high or low-spin state, depending on the size of the ligand field splitting. By alternating between these two different spin states reversibly, the expected magnetism of the complex can also be changed. This phenomenon is called a spin-crossover (SCO). The typical five-coordinated metal complex has one of two structures: trigonal bipyramidal (tbp) and square pyramidal (sp). These structures can be interchanged by the intermolecular exchange process (called Berry Pseudorotation, BPR). In this study, we predicted the observed magnetism of the SCOin five-coordinated metal complexes through the interchanged process by BPR.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

30

1&2

93

99