Synthesis and Characterization of Bis(4-methylbenzylammonium) Tetrachloridocadmate(II)

Table 5

Calculated and experimental ¹³C chemical shifts in the studied compound.

Atom	No optimization	Optimization of all atoms	Optimization of protons	Experimental
C1	122.8	134.9	128.9	130.0
C2	121.2	126.7	122.9	128.3
C3	125.8	134.9	131.9	130.0
C4	132	140.5	137.7	131.8
C5	156.9	159.8	155.7	137.4
C6	131.7	140.5	137.5	131.8
C7	27.4	59.9	45.2	44.3
C9	0.8	24	23.8	22.2