Distortion in octahedral structure of 3d transition metal complexes (Mn, Fe, Co, Ni, Cu, Zn) has been studied using XAFS showing divergent nature of Cu complex. EXAFS analysis showed elongated metal-oxygen bonds for Cu complex leading to more distorted structure. Derivative XANES spectrum at Cu K-edge exhibits splitting of main edge which is correlated to elongated Cu-O bond length. Using these coordination geometry around metal centers, theoretical XANES spectra have been generated and features observed have been correlated to the corresponding metals p-DOS. It has been shown that distorted octahedral field in Cu complex is responsible for splitting of p-DOS.

利用XAFS研究了3d过渡金属配合物（Mn，Fe，Co，Ni，Cu，Zn）八面体结构的畸变，显示出Cu配合物的发散性。EXAFS分析表明，铜络合物的金属-氧键延长，导致结构变形。Cu K边缘的导数XANES光谱显示出主边缘的分裂，这与拉长的Cu-O键长相关。使用围绕金属中心的这些配位几何，已经生成了理论XANES光谱，并且观察到的特征已与相应的金属p-DOS相关。已经表明，铜配合物中扭曲的八面体场是导致p-DOS分裂的原因。