A combined theoretical and experimental study of chelidamate cadmium (II) complex, [Cd2(dpa)2(chel)2]⋅2[Cd(dpa)(chel)]⋅6H2O

Crystal growth, structural and spectroscopic characterization, antimicrobial activity, DNA cleavage, molecular docking and density functional theory calculations of Zn(II) complex with 2‐pyridinecarboxylic acid

“…Instead of these disappeared peaks, two new bands designated as asymmetric and symmetric C═O stretching vibrations have been observed in the FT‐IR spectrum. In the spectrum of the complex, these carboxylate (CO) bands are observed at 1300–1626 cm −1 (FT‐IR), 1301–1602 cm −1 (Raman) and 1297–1664 cm −1 (B3LYP), consistent with previously reported studies . The frequency interval between asymmetric and symmetric carboxylate stretching vibrations is used as evidence to explain the coordination.…”

“…The construction of metal–organic frameworks (MOFs) with fascinating structural architectures and topologies has received great interest due to their potential applications in the fields of magnetism, catalysis, gas adsorption, ion exchange, conductivity, photochemistry, materials science and medicine . In recent years, a number of MOFs that contain copper, cobalt, zinc, nickel and manganese have been synthesized by selecting suitable ligands and metal ions which improve the functional properties and biological activities of the synthesized complexes.…”

“…2‐Pyridinecarboxylic acid, also known as picolinic acid, is an excellent ligand for the construction of MOFs since it has a great coordination flexibility and versatility . This outstanding feature of 2‐pyridinecarboxylic acid ligand originates from the donor N and O atoms which have different natures.…”

Synthesis and Selected Properties of New Complex Cation Decorated Polyoxotantalates

“…The latter value is longer than the sum of ionic radii (Cd 2+ CN7 : 1.03 Å; O 2– : 1.35 Å). Similar values were reported for CdN 4 O 3 in the CTP environment, and as expected, the Cd–O bond to the capping O 2– is longer than to O 2– anions in the trigonal prism. − The Cd–N bonds are between 2.196 and 2.485 Å (Table S8), in agreement with literature values. − The N–Cd–N and O–Cd–O cis angles range from 74.4(4)° to 97.9(4)°, respectively, from 62.96(14)° to 65.78(14)°, and the N–Cd−μ 2 -O angles are 74.2(3)–96.8(3)°. The trans angles cover a wide range as expected by different orientations of the monocapped trigonal prisms (Table S9), but the geometric parameters are not unusual and similar data were reported in the literature. ,, …”

“…The four unique S9), but the geometric parameters are not unusual and similar data were reported in the literature. 74,90,91 The {[Cd(cyclam)] 4b). The H 2 O molecules connect the cluster anion to form a layered structure in the (001) plane (Figure S8).…”