Research Article
Quantum Chemical Study of Mixed-Ligand Monometallic Ruthenium(II) Complex of Composition [(bpy)2Ru(H3Imbzim)](ClO4)2·2H2O
Table 1
(a) Comparison of selected bond lengths and (b) comparison of selected bond angles.
(a) |
| Serial number | Name of bond lengths | Bond lengths | Computed | Experimental |
| 1 | Ru-N6 | 2.060 | 2.033 | 2 | Ru-N4 | 2.072 | 2.039 | 3 | Ru-N3 | 2.067 | 2.039 | 4 | Ru-N5 | 2.074 | 2.074 | 5 | Ru-N8 | 2.112 | 2.077 | 6 | Ru-N1 | 2.093 | 2.093 |
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(b) |
| Serial number | Name of bond angles | Bond angles (in degree) | Computed | Experimental |
| 1 | N6-Ru-N4 | 89.84 | 89.20 | 2 | N6-Ru-N3 | 97.06 | 96.47 | 3 | N6-Ru-N5 | 78.44 | 78.88 | 4 | N4-Ru-N3 | 78.44 | 79.21 | 5 | N4-Ru-N5 | 98.45 | 100.60 | 6 | N3-Ru-N5 | 174.61 | 175.35 | 7 | N6-Ru-N8 | 173.26 | 172.98 | 8 | N4-Ru-N8 | 95.45 | 95.51 | 9 | N3-Ru-N8 | 88.08 | 89.54 | 10 | N5-Ru-N8 | 96.63 | 95.10 | 11 | N6-Ru-N1 | 97.23 | 97.48 | 12 | N4-Ru-N1 | 171.38 | 170.99 | 13 | N3-Ru-N1 | 95.75 | 93.97 | 14 | N5-Ru-N1 | 87.80 | 86.67 | 15 | N8-Ru-N1 | 77.85 | 78.42 |
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