Table 2: Selected Bond Distances (Å) and Angles (°) of the Cu Complexing Structure (Figure 5) Calculated by DFT Method

From: Experimental and Theoretical Approaches for the Surface Interaction between Copper and Activated Sludge Microorganisms at Molecular Scale

Geometry structureDFT optimized structureCu K-edge EXAFS experiment
BondCu-O12.0861.93~1.95
 Cu-O22.103 
 Cu-O32.056 
 Cu-O42.064 
 Cu-O52.2872.29~2.50
 Cu-O62.281 
AngleO1-Cu-O689.372distorted octahedral structure
 O2-Cu-O689.832 
 O3-Cu-O592.021 
 O4-Cu-O591.109