scholarly journals First-Principles Characterization of the Elusive I Fluorescent State and the Structural Evolution of Retinal Protonated Schiff Base in Bacteriorhodopsin

2019 ◽  
Vol 141 (45) ◽  
pp. 18193-18203 ◽  
Author(s):  
Jimmy K. Yu ◽  
Ruibin Liang ◽  
Fang Liu ◽  
Todd J. Martínez
Keyword(s):  
Schiff Base ◽  
First Principles ◽  
Structural Evolution ◽  
Fluorescent State

Synthesis and Characterization of Some New Esters Containing Heterocyclic and Derived From Azo Dyes

2019 ◽  
Vol 9 (02) ◽  
Author(s):  
Zena G. Alrecabi ◽  
Zainab Amer ◽  
Naeemah Al-Lami
Keyword(s):  
Schiff Base ◽  
13C Nmr ◽  
Azo Dyes ◽  
Spectral Methods ◽  
Anthranilic Acid ◽  
Heterocyclic Compounds ◽  
Synthesis And Characterization ◽  
Cooh Group ◽  
Molecular Weights

This study including prepared new colored esters containing heterocyclic with high molecular weights. In the first part of work we synthesized azo dyes [1,2] from the reaction p-toluidine with β-naphthol and o-nitro phenol, thin we synthesized Schiff bases [3,4] by the reaction anthranilic acid with benzaldehyde and dimethyl benzaldehyde. The reaction azo dyes (contain OH group) with Schiff base (contain COOH group) these led to produce the new colored esters [A1-A4]. The second part of work was modification the (C=N-) group in esters to heterocyclic compounds by reacting with phenyl iso cyanide to produce new β-lactam [B1-B4] and with anthranilic acid to get new hydroquinazoline [C1-C4]. All these compounds were characterized by physical properties and spectral methods FTIR, 1H-NMR and 13C-NMR.

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

scholarly journals Synthesis and Structural Characterization of (E)-4-[(2-Hydroxy-3-methoxybenzylidene)amino]butanoic Acid and Its Novel Cu(II) Complex

Molbank ◽  
10.3390/m1179 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1179
Author(s):  
Eleftherios Halevas ◽  
Antonios Hatzidimitriou ◽  
Barbara Mavroidi ◽  
Marina Sagnou ◽  
Maria Pelecanou ◽  
...  
Keyword(s):  
Schiff Base ◽  
Gamma Aminobutyric Acid ◽  
X Ray Diffraction ◽  
Reaction Conditions ◽  
Polymeric Compound ◽  
Bridging Ligands ◽  
1H And 13C Nmr ◽  
One Dimensional ◽  
Ft Ir

A novel Cu(II) complex based on the Schiff base obtained by the condensation of ortho-vanillin with gamma-aminobutyric acid was synthesized. The compounds are physico-chemically characterized by elemental analysis, HR-ESI-MS, FT-IR, and UV-Vis. The complex and the Schiff base ligand are further structurally identified by single crystal X-ray diffraction and 1H and 13C-NMR, respectively. The results suggest that the Schiff base are synthesized in excellent yield under mild reaction conditions in the presence of glacial acetic acid and the crystal structure of its Cu(II) complex reflects an one-dimensional polymeric compound. The molecular structure of the complex consists of a Cu(II) ion bound to two singly deprotonated Schiff base bridging ligands that form a CuN2O4 chelation environment, and a coordination sphere with a disordered octahedral geometry.

scholarly journals First-principles characterization of single-electron polaron in WO3

2020 ◽  
Vol 2 (1) ◽  
Author(s):  
Eric Bousquet ◽  
Hanen Hamdi ◽  
Pablo Aguado-Puente ◽  
Ekhard K. H. Salje ◽  
Emilio Artacho ◽  
...  
Keyword(s):  
First Principles ◽  
Single Electron
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