Chemistry Reference
In-Depth Information
COSMO volume: 598.9
Empirical formula: C
34
H
20
N
2
O
4
Cd
Shannon entropy of atomic numbers: 1.0495
Shannon entropy of bond orders: 0.6350
Log P: 6.19
4.4.13 e
xaMple
13
The complex [L]Pd (charge on system = 0) in Figure 4.21 was synthesized recently in
order to study its catalytic activity (Nan et al. 2011). The optimized geometry of this
complex is nonplanar. According to Table 4.1, the following bonds can be identified
in this complex: 2 Pd-C coordinative bonds, 2 Pd-Br coordinative bonds, 14 single
bonds, and 15 aromatic bonds.
CH
3
N
N
Pd
H
3
C
H
3
C
Br
Br
N
N
CH
3
FIGURE 4.21A
The 2D structure of paladium complex.
FIGURE 4.21B
The 3D structure of paladium complex.
