Preparation, Structure, Photoluminescent and Semiconductive Properties, and Theoretical Calculation of a Mononuclear Nickel Complex with 3-Hydroxy-2- Methylquinoline-4-Carboxylato Ligand

Abstract

A novel nickel complex with mixed ligands [Ni(L) 2 (EtOH) 2 (MeOH) 2 ] (HL = 3-hydroxy-2-methylquinoline-4-carboxylic acid) has been synthesized through solvothermal reaction and its crystal structure was determined by single-crystal X-ray diffraction technique. Single-crystal X-ray diffraction analyses reveals that the title compound crystallizes in the triclinic system of the P-1 space group, and exists as isolated mononuclear complex. The intermolecular hydrogen bonds lead to the formation of chains, and the layered supramolecular structure is formed by the strong π•••π stacking interactions. Solid-state photoluminescent characterization reveals that the title compound has an emission in the green region. Time-dependent density functional theory (TDDFT) calculation shows that the nature of the photoluminescence of the title compound originates from the ligand-to-ligand charge transfer (LLCT; from the HOMO of the p-orbital of ligand HMCA to the LUMO of the oxygen atoms). A wide optical band gap of 2.25 eV is found by the solid-state UV/vis diffuse reflectance spectrum.

Synthesis, Characterization, and Antimicrobial Activity Screening of Some Novel 3-(2-(3-(Substituted benzyloxy)oxetan-3-yl)-3-fluorophenoxy)-8-fluoro-2-methylquinoline Derivatives as Potential Antimycobacterial Agents

“…The synthetic route for 3-(2-(3-(substituted benzyloxy)­oxetan-3-yl)-3-fluorophenoxy)-8-fluoro-2-methylquinoline ( 9a – i ) derivatives has been described in Scheme . The preparation of 8-fluoro-3-hydroxy-2-methylquinoline-4-carboxylic acid ( 3 ) was achieved via the Pfitzinger reaction using 1-chloropropan-2-one ( 2 ) and 7-fluoroindoline-2,3-dione ( 1 ) in the presence of aqueous calcium oxide at 80 °C . Several methods were used for the decarboxylation of the substituted phenyl and quinoline rings.…”

“…Synthesized 3-(2-(3-(substituted benzyloxy)­oxetan-3-yl)-3-fluorophenoxy)-8-fluoro-2-methylquinoline ( 9a – i ) derivatives were evaluated for antibacterial activity against Gram-negative strains P. mirabilis (NCIM2388) and E. coli (NCIM 2065) and Gram-positive strains B. subtilis (NCIM2063) and S. albus (NCIM 2178) using the well diffusion method. , Standard drugs streptomycin and DMSO were used as the positive and negative control, respectively. The in vitro antifungal activity was performed against C. albicans (NCIM 3100) and A. niger (ATCC 504) using the well diffusion method. , The antifungal drugs fluconazole and ravuconazole were used as references.…”

Extraction-Chromogenic System for Nickel(II) Based on 5-methyl-4-(2-thiazolylazo)resorcinol and Aliquat 336

“…Most likely, both MTAR complexes, [Ni(HL) 2 ] and (A336 + ) 2 [Ni(L) 2 ], have an octahedral geometry which is common for Ni II centers. 47,48,53,54 Donor atoms of each of the tridentate MTAR units should be the o-hydroxyl oxygen (relative to the azo-group) and the two nitrogens (from the thiazole ring and azo-group). 47,48,55 As shown in Eqs.…”

Preparation, crystal structures, properties, and time-dependent density functional theory of two cobalt complexes with 3-hydroxy-2-methyl-quinoline-4-carboxylate

“…Based on the interest in quinoline carboxylic acids, a series of transition and lanthanide metal complexes with 3-hydroxy-2-methylquinoline-4-carboxylate acid (HMCA) as the main ligand were synthesized and reported by Yi’s group. 14–19 In this work, all of the complexes are mononuclear complexes with monodentate or bidentate chelated coordination. In continuation of our work, we report here the solvothermal synthesis, X-ray crystal structure, solid-state photoluminescence, solid-state UV-Vis diffuse reflectance and magnetic properties, as well as the time-dependent density functional theory (TDDFT) calculations for three complexes, namely, [HMCA] 2 ( 1 ), [Co(MCA)(bipy)(H 2 O)]·(H 2 O) ( 2 ), and [Co 2 (MCA) 2 (Phen) 3 ]· 3(H 2 O) ( 3 ).…”