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. 2023 Feb 3;8(6):6016–6029. doi: 10.1021/acsomega.2c08001

Table 2. Four-Coordinate and Five-Coordinate Geometry Indices for the Synthesized Complexes and Representative Examples from the Literature.

complexes geometry τ4 THCDA/100 FCGP/100 τ5 reference
square planar (D4h) square planar 0.000 –1.43 –0.400   (49)
trigonal pyramidal (C3v) trigonal pyramidal 0.850 0.000 1.00   (49)
[LTHZnCl2] tetrahedral 0.897 0.514 0.402   this work
[LTHZnBr2] tetrahedral 0.886 0.458 0.427   this work
[LTHPdCl2] square planar 0.109 –1.26 –0.170   this work
[LTHPdBr2] square planar 0.0745 –1.32 –0.249   this work
[(L-b)2ZnCl2]a tetrahedral 0.885 0.432 0.452   (43)
[(L-b)2PdCl2]a square planar 0.0626 –1.34 –0.265   (43)
[LCZnCl2]b tetrahedral 0.887 0.370 0.422   (29)
[LDPdCl2]c tetrahedral 0.870 0.337 0.415   (29)
[LBPdCl2]d square planar 0.0774 –1.31 –0.231   (56)
[LCZnCl2]e square planar 0.0754 –1.31 –0.243   (56)
tetrahedral (Td) tetrahedral 1.00 1.00 0.000   (49)
square pyramidal (C4v) square pyramidal       0.000 (50, 51)
[LTHCd(μ-Cl)Cl]n square pyramidal       0.0033 this work
[LTHCd(μ-Br)Br]2 square pyramidal       0.324 this work
[(bpma)Cd(μ-Br)Br]2f trigonal bipyramidal       0.606 (57)
[LACdBr2]g square pyramidal       0.071 (26)
[LECdBr2]h square pyramidal       0.003 (26)
trigonal bipyramidal (D3h) trigonal bipyramidal       1.00 (50, 51)
a

L-b = 4-methoxy-N-methyl-N-(pyridin-2-ylmethyl) aniline.

b

LC = N-cyclohexyl-1-(pyridin-2-yl)methanimine.

c

LD = 2,6-diethyl-N-(pyridin-2-ylmethylene)aniline.

d

LB = 2,4,6-trimethyl-N-((pyridin-2-yl)methylene)aniline.

e

LC = 4-nitro-N-((pyridin-2-yl)methylene)aniline.

f

bmpa = 4-bromo-N-((pyridin-2-yl)methylene) benzenamine.

g

LA = N1,N1-dimethyl-N2-(pyridin-2-ylmethylene)ethane-1,2-diamine.

h

LE = N1,N1-dimethyl-N3-(pyridin-2-ylmethylene) propane-1,3-diamine.