scholarly journals Synthesis, Spectroscopic Characterization and Theoretical Study of Schiff Bases Derived from Phenylsulfonylamide

2009 ◽  
Vol 1 (3) ◽  
pp. 563-568 ◽  
Author(s):  
J. S. Hadi ◽  
B. K. Alsalam ◽  
A.H. Essa
Keyword(s):  
Schiff Bases ◽  
1H Nmr ◽  
Theoretical Study ◽  
Spectroscopic Characterization ◽  
Spectroscopic Techniques ◽  
Sodium Complex ◽  
Sulpha Drug ◽  
Semi Empirical

The synthesis, characterization, and theoretical study of two Schiff bases of ligands derived from condensation of sulphoacetamide sodium with 4-methoxy benzaldehyde and salicalaldehyde arereported. Spectroscopic techniques, including IR, UV, 1H NMR, and CHN analysis were used to identify the product. The calculated HOMO is largely localized on the N-benzylideneaniline fragment, while the calculated LUMO of the studied molecule is seen to be substantially localized along the C–C axis of the conjugated system. Keyword: Sulphoacetamide sodium complex; Schiff bases; Sulpha drug; Semi-empirical (PM3) methods.  © 2009 JSR Publications. ISSN: 2070-0237 (Print); 2070-0245 (Online). All rights reserved.  DOI: 10.3329/jsr.v1i3.2589            J. Sci. Res. 1 (3), 563-568 (2009) 

scholarly journals An efficient synthesis and spectroscopic characterization of Schiff bases containing 9,10-anthracenedione moiety

2013 ◽  
Vol 78 (4) ◽  
pp. 477-482
Author(s):  
Ghulam Fareed ◽  
Ali Versiani ◽  
Nighat Afza ◽  
Nazia Fareed ◽  
Irfan Ali ◽  
...  
Keyword(s):  
Green Chemistry ◽  
Schiff Bases ◽  
1H Nmr ◽  
13C Nmr ◽  
Room Temperature ◽  
Spectroscopic Characterization ◽  
Efficient Synthesis ◽  
Tungstosilicic Acid ◽  
Solvent Free Conditions

A new method has been developed for the synthesis of novel Schiff bases containg anthraquinone moiety using dodeca-Tungstosilicic acid/P2O5 under solvent free conditions at room temperature. The reaction was completed in 1-3 minutes with excellent yields. This method was found to be more efficient, easy and hazardous free for the synthesis of azomethines. The development of these type of methadologies in synthetic chemistry may contribute to green chemistry. The structures of synthesized novel Schiff bases was elucidated using 1H-NMR, 13C-NMR, LCMS, FTIR and CHN analysis.

Synthesis, Characterization and Thermal studies of Novel Organomercury Driven from Sulfa Drugs Part 1

2011 ◽  
Vol 7 (2) ◽  
pp. 1338-1347
Author(s):  
Tarek Ali Fahad ◽  
Shaker.A.N. AL-Jadaan
Keyword(s):  
Thermal Decomposition ◽  
Thermal Behavior ◽  
1H Nmr ◽  
Elemental Analysis ◽  
Thermal Studies ◽  
Spectroscopic Techniques ◽  
Sulfa Drugs ◽  
Acid Base ◽  
Ph Values ◽  
Multi Stage

Two new heterocyclic Organmercury compounds   were prepared from the reaction of Sulfamethaxazole and Sulfadiazine with 4-acetaminophenol as a coupler and separated as solids with characteristic colors. these compounds were characterized by F.T.IR-spectroscopy 1H-NMR , Micro-elemental Analysis and UV-Vis spectroscopic techniques . The work involves a study of acid – base properties compounds at different pH values, the ionization and protonation constants were calculated. The thermal behavior of these two compounds   were investigated on the basis of thermogravimetric (TGA) and differential thermogravimetric (DTG) analyses, Thermal decomposition of these compounds is multi-stage processes.

Benzimidazole Derivatives as Potential Antimicrobial and Antiulcer Agents: A Mini Review

2019 ◽  
Vol 19 (16) ◽  
pp. 1292-1297 ◽  
Author(s):  
Ali Mohd Ganie ◽  
Ayaz Mahmood Dar ◽  
Fairooz Ahmad Khan ◽  
Bashir Ahmad Dar
Keyword(s):  
Cell Lines ◽  
Cancer Cell ◽  
1H Nmr ◽  
13C Nmr ◽  
Benzimidazole Derivatives ◽  
Spectroscopic Techniques ◽  
One Pot ◽  
Biological Screening ◽  
Elemental Analyses ◽  
Characterization Studies

:Here in we report the number of strategies for the synthesis of differently substituted benzimidazole derivatives. The protocols involved in the syntheses of these derivatives were one-pot or multi-component. The characterization studies of these derivatives were carried by using different spectroscopic techniques (1H NMR, 13C NMR and MS) and elemental analyses. The biological screening studies revealed that these benzimidazole derivatives show potential antibacterial as well as antifungal behavior. These benzimidazole derivatives not only depicted potential antiulcer properties but also showed moderate to good anticancer/cytotoxic behavior against different cancer cell lines.

Synthesis, Conformational Analysis, Infrared, Raman and UV-Visible Spectra of Novel Schiff Bases compiled with DFT Calculations

2020 ◽  
Vol 23 (7) ◽  
pp. 568-586
Author(s):  
Samy M. Ahmed ◽  
Ibrahim A. Shaaban ◽  
Elsayed H. El-Mossalamy ◽  
Tarek A. Mohamed
Keyword(s):  
Schiff Bases ◽  
1H Nmr ◽  
Electronic Absorption Spectra ◽  
Chemical Shifts ◽  
Basis Set ◽  
Oh Groups ◽  
Vibrational Assignments ◽  
Cartesian Coordinate ◽  
Surface Scan ◽  
Ir And Raman

Objective: Two novel Schiff bases named, 2-((2-Hydroxybenzylidene)amino)-4,5,6,7- tetrahydrobenzo[b] thiophene-3-carbonitrile (BESB1) and 2-((Furan-2-ylmethylene)amino)-4,5,6, 7-tetrahydro-benzo[b]thiophene-3-carbonitrile (BESB2) were synthesized. Methods: The structures were characterized based on CHN elemental analysis, mid-infrared (400– 4000 cm-1), Raman (100-4000 cm-1), 1H NMR, mass and UV-Vis spectroscopic measurements. In addition, quantum mechanical calculations using DFT-B3LYP method at 6-31G(d) basis set were carried out for both Schiff bases. Initially, we have carried out complete geometry optimizations followed by frequency calculations for the proposed conformational isomers; BESB1 (A–E) and BESB2 (F–J) based on the orientations of both CN and OH groups against the azomethine lonepair (NLP) in addition to the 3D assumption. Results: The computational outcomes favor conformer A for BESB1 in which the C≡N and OH moieties are cis towards the NLP while conformer G is preferred for BESB2 (the C≡N/furan-O are cis/trans towards the NLP) which was found consistent with the results of relaxed potential energy surface scan. Aided by normal coordinate analysis of the Cartesian coordinate displacements, we have suggested reliable vibrational assignments for all observed IR and Raman bands. Moreover, the electronic absorption spectra for the favored conformers were predicted in DMSO solution using TD-B3LYP/6-31G(d) calculations. Similarly, the 1H NMR chemical shifts were also estimated using GIAO approach implementing PCM including solvent effects (DMSO-d6). Conclusion: Proper interpretations of the observed electronic transition, chemical shifts, IR and Raman bands were presented in this study.

Liquid Crystalline Properties of 4,4and#39;-methylenebis(N-(4-Alkanoxybenzylidene)aniline): Synthesis, Characterization, and Theoretical study

2019 ◽  
Vol 41 (6) ◽  
pp. 1107-1107
Author(s):  
Mohammed Taha Yaseen and Abdullah Hussein Kshash Mohammed Taha Yaseen and Abdullah Hussein Kshash
Keyword(s):  
Liquid Crystalline ◽  
Theoretical Study ◽  
Basis Set ◽  
Spectroscopic Techniques ◽  
Benzene Nucleus ◽  
Crystal Properties ◽  
Ft Ir ◽  
Alkoxy Groups ◽  
Gaussian Program ◽  
Mesomorphic Properties

The paper presents six homologues series of Schiff bases ether compounds distinguished by the length of terminal alkoxy groups which substituted on a side benzene nucleus. The above structures were demonstrated through the use of spectroscopic techniques, like FT- IR and 1H-NMR. Polarized hot stage optical microscopy was used to study both mesomorphic properties and phase transitions. The results showed that out of the six compounds only three (B2, B3 and B4) were pure (marble) nematic mesophase, while no liquid crystal properties for (B5, B6 and B7) compounds. The theoretical study for the electronic structures was intended to study the effects of alkyl chain length on the electronic structure by using Gaussian program, DFT and 6-31G as basis set. The theoretical results indicate that there is no effect to the terminal substituted alkoxy groups on the HOMO energies but there is an effect on LUMO energies through decreasing energy for the prepared compounds.

Dissecting the cation–cation interaction between two uranyl units

2016 ◽  
Vol 18 (27) ◽  
pp. 18305-18311 ◽  
Author(s):  
Paweł Tecmer ◽  
Sung W. Hong ◽  
Katharina Boguslawski
Keyword(s):  
Theoretical Study ◽  
Spectroscopic Characterization

A theoretical study of the CCIs between two bare uranyl units and their spectroscopic characterization.

Delphinidin–Aluminum(III) Complexes in Aqueous and Non-Aqueous Media: Spectroscopic Characterization and Theoretical Study

2007 ◽  
Vol 138 (12) ◽  
pp. 1225-1232 ◽  
Author(s):  
Jasmina M. Dimitrić Marković ◽  
Zoran S. Marković ◽  
Jelisaveta M. Baranac ◽  
Marina L. Dašić
Keyword(s):  
Theoretical Study ◽  
Aqueous Media ◽  
Spectroscopic Characterization
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