Table 2. Calculated Molecular Force Constants.
ATP |
hydrolyzed ATP |
sample B |
sample C |
sample D |
||||||
---|---|---|---|---|---|---|---|---|---|---|
name of the bond | 1/λ (cm–1) | k (N/m) | 1/λ (cm–1) | k (N/m) | 1/λ (cm–1) | k (N/m) | 1/λ (cm–1) | k (N/m) | 1/λ (cm–1) | k (N/m) |
NH2 bond in adenine ring | 312.5 | 5.4 | 327.9 | 5.9 | 324.1 | 5.7 | 296.8 | 4.8 | 291.7 | 4.7 |
N7 atom in adenine ring | 1493.6 | 849.3 | 1506.4 | 863.9 | 1484.4 | 839.5 | 1494.0 | 849.8 | 1498.0 | 854.3 |
phosphate bonds | 1117.8 | 776.9 | 1125.9 | 788.2 | 1123.6 | 785.0 | 1144.9 | 815.1 | 1147.9 | 819.3 |