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RISSynthesis, molecular structure, spectroscopic investigations and computational studies of (E)-1-(4-(4-(diethylamino)-2- hydroxybenzylideneamino)phenyl)ethanone
The Schiff base compound (E)-1-(4-(4-(diethylamino)-2-hydroxybenzylideneamino)phenyl)ethanone
has been synthesized and characterized by IR, UV–Vis, and 1H and 13C NMR techniques. These properties of title compound ...
Neutral vs. zwitterionic form of dipicolinic acid: A DFT study
weight being stronger than those of aspirin [2]. It was also found that when DPA is added to the culture solution of Bacillus subtilis natto, the concentration of vitamin K2 increased [3].
Since proton transfer (PT) is one of the most important...
Synthesis and Characterization of Two New Supramolecular Coordination Compounds Including Pyridin- 3,5-dicarboxylic acid Ligand and CoII /NiII atoms In the Presence of 9-Aminoacridinium Spacer
by elemental analyses, IR and 1H NMR spectroscopies. They are
resulted from proton transfer between pyridine 3,5 dicarboxylic acid and 9-amino acridine and then
adding of metallic salts such as cobaltII acetate and nickelII chloride lead...
Synthesis, characterization and intramolecular proton transfer of 3,3’-Dihydroxy-4,4’-[5-methyl-1,3-phenylenebis(nitrilomethylidyne)]-bis-phenol
nitrogens. Good consistency between the theoretical and experimental results confirms validity of the optimized geomrtry. Also, kinetics and mechanism of the intramolecular-proton transfer of the studied Schiff base was demonstrated theoretically....
Investigation of simple and water assisted tautomerism in a derivative of 1,3,4-oxadiazole: A DFT study
Investigation of tautomerism and transition states in a derivative of 1,3,4-oxadiazole (A, B, C and D)
in the gas phase and in solution and in a micro hydrated environment with 1–3 water molecules was
performed ...
New complex of zinc metal ion including pyridine-2,5-dicarboxylicacid N-oxid through proton transfer
the syntheses of one proton transfer compound and its metallic complex of Zn(II) ion based on proton transfer mechanism which were characterized by elemental analyses, infrared spectroscopy, and melting point. The compounds chemical formulas are (H2pipz...
Two new copper and nickel complexes of pyridine-2,6-dicarboxylic acid N-oxide and their proton transferred salt: Solid state and DFT insights
complexes with formulas, {(H9a-acr)2[Cu(pydco)2(H2O)2]·4H2O} (2), and {(H9a-acr)2[Ni(pydco)2(H2O)2]·4H2O} (3) (where H2pydco = pyridine-2,6-dicarboxylic acid N-oxide and 9a-acr = 9-aminoacridine) have been synthesized by proton transfer from H2pydco to 9a...
Importance of polarization assisted/resonance assisted hydrogen bonding interactions and unconventional interactions in crystal formations of five new complexes bearing chelidamic acid through proton transfer mechanism
acid; 4a-dmpy = 4-aminodimethylpyridine; 2a-4,6-dmpym= 2-amino-4,6-dimethylpyrimidine; 2a-2mpy = 2-amino-4-methylpyridine) are five new coordination compounds obtained through the same proton transfer mechanism. The chemical formulas and structures...
Synthesis, X-ray Characterization and DFT study of a novel Fe(III)–Pyridine-2,6-Dicarboxylic Acid N-oxide Complex with Unusual Coordination Mode
-acr)3[Fe(pydco)3]·6H2O (1) (where H2pydco = pyridine-2,6-dicarboxylic acid N-oxide and 9a-acr = 9-aminoacridine) via proton transfer methodology. The structure of 1 was characterized by IR spectroscopy, X-ray diffraction methods and the elemental...
Synthesis, structural characterization and DNA‑ binding studies of a new cobalt (II) complex: (HAcr)4 [Co(Sal)3]
A new cobalt (II) coordination compound was synthesized using proton transfer mechanism. The reaction between CoCl2·2H2O, Salicylic acid (H2Sal) and acridine (Acr) gave a new coordination compound formulated as (HAcr)4[Co(Sal)3], which...