Research Article

Spectral Investigation and In Vitro Antibacterial Evaluation of NiII and CuII Complexes of Schiff Base Derived from Amoxicillin and α-Formylthiophene (αft)

Table 8

(a) Selected bond lengths and bond energies of ligand (HL). (b) Selected bond angles and bond energies of ligand (HL). (c) Selected bond lengths and bond energies of Ni-complex. (d) Selected bond angles and bond energies of Ni-complex. (e) Selected bond lengths and bond energies of Cu-complex. (f) Selected bond angles and bond energies of Cu-complex.
(a)

Bond typeBond lengths (Å)Bond energy (kcal/mol)

C8-N151.447532.154
N15-C161.291749.036
C16-C171.464386.878
C8-C221.489367.716
C22-N231.437543.390
N23-C241.462515.889

(b)

Bond typeBond angle (°)Bond energy (kcal/mol)

C8-N15-C16120.00226.230
N15-C8-C22109.47312.267
N15-C16-C17120.00295.502
N15-C8-H14109.47169.990
C22-N23-C24106.70261.205
N23-C22-O25120.00378.598

(c)

Bond typeBond lengths (Å)Bond energy (kcal/mol)

Ni1-N21.885306.275
Ni1-N31.885306.275
Ni1-N41.870313.824
Ni1-N51.870313.824

(d)

Bond typeBond angle (°)Bond energy (kcal/mol)

N2-Ni1-N390.00340.090
N2-Ni1-N490.00344.228
N2-Ni1-N590.00344.228
Ni1-N2-C9106.00212.735
Ni1-N2-C24106.00208.934
N3-Ni1-N490.00344.228
N3-Ni1-N590.00344.228
N4-Ni1-N590.00348.473

(e)

Bond typeBond lengths (Å)Bond energy (kcal/mol)

Cu1-N22.031176.938
Cu1-N32.031176.938
Cu1-N42.016181.007
Cu1-N52.016181.007

(f)

Bond typeBond angle (°)Bond energy (kcal/mol)

N2-Cu1-N3109.47156.977
N2-Cu1-N4109.47158.764
N2-Cu1-N5109.47158.764
Cu1-N2-C9106.70132.072
Cu1-N2-C24106.70129.991
N3-Cu1-N4109.47158.764
N3-Cu1-N5109.47158.764
N4-Cu1-N5109.47160.587