charge density st of Bi and Co - OMC

Spectral analysis, XRPD, quantum structures and evaluation of antimicrobial activity of supramolecular topologies of Bi(V) and Co(II) metal based antibiotic drugs complexes

Rajiv Kumar, Parashuram Mishra

Abstract


Supramolecular topologies of OMC-Bi(V) and OMC-Co(II) were derived from antibiotic drugs i.e. tetracycline and amoxicillin. To find out coordination sites in organic metal complexes; therefore, several techniques were used spectral analysis (electronic, vibrational, 1H NMR, 13C NMR, and TOF-MS), physiochemical investigations (elemental analyses, X-ray powder diffraction) and molecular modeling, revealed coordination modes between Bi(V) and Co(II) of L, and ML entirely within moiety OMCs and specifically molecular modeling findings to predict accurately existed bond distance and bond angles. Quantum structures of OMC-Bi(V) and OMC-Co(II) were derived by molecular modeling. The electronic spectrum of OMC-Bi(V) and OMC-Bi(V) showed different transitions corresponding to five and four-coordinate arrangements. XRPD and molecular modeling were also provided information related to fitness of metal and their bonding ability to organic framework and crystal system. XRPD spectral data were used to calculate cell dimension and other parameters lattice parameters for OMC-Bi(V) and OMC-Co(II). Bi-L1; a = 15.95464 (A),b = 15.95464 (A),c = 16.47710 (A),a = 90.00°,b = 90.00°,,g = 120.00° and Co-L2 ; a = 14.27390 (A),b = 14.27390 (A), c =  9.51192  (A), a = 90.00°, b = 99.000°, g = 120.00°. Particle size (nm) was also calculated for OMC-Bi(V) and OMC-Co(II) and found 11.66 nm and 10.09 nm respectively. Molecular modeling provided better understanding related to arrangements of atoms in crystal systems. Electron set for bonding groups presented in ligands moieties display extensive biological activity that may be responsible for increase in hydrophobic character and liposolubility of supramolecular topologies of OMC-Bi(V) and OMC-Co(II) ultimately enhanced biological activity.

Keywords


Organic metal complexes; molecular modeling; XRPD; quantum structures; Bi(V); Cot(II)

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