Asian Journal of Research in Chemistry

ISSN

0974-4150 (Online)
0974-4169 (Print)


Submit Article

Molecular Geometry, Vibrational Assignments, HOMO-LUMO, Mulliken’s charge analysis and DFT Calculations of 2-(2-Phenylaminothiazole-5-oyl)1- methyl-6-methylbenzimidazole

Author(s): S. Sangeetha, T. F. Abbs Fen Reji

Email(s): sangeethasss1982@gmail.com

DOI: 10.5958/0974-4150.2018.00149.9

Address: S. Sangeetha1*, T. F. Abbs Fen Reji2
1Department of Chemistry, Sivanthi Adithanar College, Pillayarpuram-629501, Tamilnadu, India
2Department of Chemistry and Research Centre, Nesamony Memorial Christian College, Marthandam-629165, Tamilnadu, India
*Corresponding Author

Published In:   Volume - 11,      Issue - 6,     Year - 2018


Keywords:

Cite this article:
S. Sangeetha, T. F. Abbs Fen Reji. Molecular Geometry, Vibrational Assignments, HOMO-LUMO, Mulliken’s charge analysis and DFT Calculations of 2-(2-Phenylaminothiazole-5-oyl)1- methyl-6-methylbenzimidazole. Asian J. Research Chem. 2018; 11(6): 848-856. doi: 10.5958/0974-4150.2018.00149.9

  View PDF



Recomonded Articles:

Structural, Mechanical and Thermodynamic properties of Manganese Monocarbide (MnC) in ZnS phase under High Pressure: a DFT Study

Author(s): Ilhem Djaghout, Rabah Ksouri, Rafik Maizi, Abdel Ghani Boudjahem, Meryem Derdare

DOI: 10.52711/0974-4150.2022.00074         Access: Open Access Read More

A study on Inhibitive action of Bauhinia racemosa Lam. Extract as Green Corrosion inhibitor for Mild steel in Hydrochloric acid medium

Author(s): R. Vasantha Jothi, P. Maheshwari, R. Saratha, D. Senthil Vadivu

DOI: 10.5958/0974-4150.2017.00102.X         Access: Open Access Read More

An Investigation of nonlinear optical properties, electronic behaviour and structure-NLO relation of 1,3-Bis(3,4-dimethoxyphenyl)prop-2-en-1-one : A theoretical and computational study

Author(s): Ram Kumar, Poonam Tandon, P.S. Patil

DOI: 10.5958/0974-4150.2017.00015.3         Access: Open Access Read More

Molecular Geometry, Vibrational Assignments, HOMO-LUMO, Mulliken’s charge analysis and DFT Calculations of 2-(2-Phenylaminothiazole-5-oyl)1- methyl-6-methylbenzimidazole

Author(s): S. Sangeetha, T. F. Abbs Fen Reji

DOI: 10.5958/0974-4150.2018.00149.9         Access: Open Access Read More

An Atoms-in-molecules (AIM) interpretation of organotin-peptide system: I. Di-n-butyltin(IV) derivative of glycyltryptophane

Author(s): Sandeep Pokharia

DOI: 10.5958/0974-4150.2017.00017.7         Access: Open Access Read More

Preparation and Characterization of Flurbiprofen Co-crystals By Using Factorial Design

Author(s): Zalte A. G., Saudagar R. B.

DOI: 10.5958/0974-4150.2018.00034.2         Access: Open Access Read More

Co(II), Ni(II) and Cu(II) complexes of new Mannich base of of N'-(1H-benzimidazol-1-ylmethyl) Pyridine-4-Carbohydrazide: Spectral, XRD, Molecular Docking, Antioxidant and Antimicrobial Studies

Author(s): Manjuraj T, G Krishnamurthy, Yadav D. Bodke, H.S. Bhojya Naik, Mohammed Shafeeulla

DOI: 10.5958/0974-4150.2017.00076.1         Access: Open Access Read More

Biosynthesis of Silver Nanoparticles by Aspergillus niger

Author(s): Adline Princy. S, Karthik. S, Malini. R

DOI:         Access: Open Access Read More

Comparison of ground states of CdS supercells made by 8 cubic unit cells by DFT

Author(s): Nishant T. Tayade, Purushottam R. Arjunwadkar

DOI: 10.5958/0974-4150.2018.00073.1         Access: Open Access Read More

Synthesis of Benzimadazoles in presence of nanocatalyst Fe2O3

Author(s): G. Venkateswararao, G.SatyaSree, B. SathishMohan, K. Ravi

DOI: 10.5958/0974-4150.2018.00093.7         Access: Open Access Read More

Synthesis and Antimicrobial Studies Of Some Novel Benzimidazole Derivatives

Author(s): Vijaya B Reddy, Rajeev K, Singla Varadaraj Bhat G, Gautham G Shenoy

DOI:         Access: Open Access Read More

Normal Mode Analysis, Electronic Parameters and molecular docking study of 3, 5, 4’-Trihydroxy-6, 7-Dimethoxy-Flavone (Eupalitin) using First Principle

Author(s): Tanveer Hasan, Raza Murad Ghalib, Sayed Hasan Mehdi, P. K. Singh, S. S. R. Baqri

DOI: 10.5958/0974-4150.2017.00132.8         Access: Open Access Read More

Spectroscopic Investigation, HOMO-LUMO and Mulliken analysis of 2-[2-(Butylamino-4-phenylaminothiazol)-5-oyl]benzothiazole by DFT study.

Author(s): B. JiniKumari, T. F. Abbs Fen Reji

DOI: 10.5958/0974-4150.2017.00137.7         Access: Open Access Read More

Synthesis and Structure-Activity Relationship Study of Novel Isoxazole derivatives as Promising Antioxidants

Author(s): Chithra. V.S, Abbs Fen Reji. T.F, Brindha. J

DOI: 10.5958/0974-4150.2018.00014.7         Access: Open Access Read More

Synthesis of 1,3,5 Trazinane-2-ones and 1,3,5 Oxadiazinane-2-ones linked with Benzimidazoles

Author(s): Kumaraswamy Gullapelli, M. Ravichander, P. Bhaskar, K. Jagadeesh Babu, G. Brahmeshwari

DOI: 10.5958/0974-4150.2017.00083.9         Access: Open Access Read More

Synthesis, Characterization and DFT studies of 2-(2-phenylaminothiazole-5-oyl)-N-methyl-6-chlorobenzimidazole

Author(s): S. Sangeetha, T.F.Abbs Fen Reji

DOI: 10.5958/0974-4150.2018.00151.7         Access: Open Access Read More

Oxidative decarboxylation of glycine by N-bromobenzimidazole in aqueous acetic acid medium - A kinetic study

Author(s): K. Ramakrishnan, B. Ramkumar

DOI: 10.5958/0974-4150.2018.00066.4         Access: Open Access Read More

Computational Study of Corrosion Potential of Ciprofloxacin Drug: DFT Approach

Author(s): Jeetendra Bhawsar, P.K. Jain, Preeti Jain, Mukta Rani Bhawsar

DOI:         Access: Open Access Read More

Steroid Chemistry and Steroid Hormone Action: A Review

Author(s): Rajesh Yadav, Nita. Yadav, Murli Dhar Kharya

DOI:         Access: Open Access Read More

The Antidiabetic, Antioxidant properties in vitro of Moringa oleifera Flowers extracts grown in Sahara of Algeria

Author(s): Amar Djemoui, Djamila Djemoui, Lahcene Souli, Ahmed Souadia, Messaoud Gouamid

DOI: 10.52711/0974-4150.2021.00032         Access: Open Access Read More

Asian Journal of Research in Chemistry (AJRC) is an international, peer-reviewed journal devoted to pure and applied chemistry..... Read more >>>

RNI: Not Available                     
DOI: 10.5958/0974-4150 

Quick Links

Latest Issues

Popular Articles


Recent Articles



Aminothiophene and Schiff base derivative-synthesis, Density Functional theory, ADME study and it’s characterization
A Review of Imidazole Derivatives: Synthesis, Pharmacological Applications, and Future Perspectives
Lavender Oil: A Comprehensive Review of Composition and Applications
The Environmental and Biological Risks of Micro and Nano Plastics: A Review
Polymer-Based Hydrogels as Enhanced Drug Delivery System
Method Development and Validation of Thymol from Trachyspermum ammi using HPLC (High Performance Liquid Chromatography)
Carotenoid profiling by HPLC-MS/MS of Mung bean (Vigna radiata (L) R. Wilczek 1854), acclimated to Burkina Faso
Analysis of K and Na content of Soil samples by Flame Emission Photometry with other parameters
A Novel Stability Indicating Analytical Development and Validation of an RP-HPLC Assay Method for the Quantification of Voglibose in Bulk and its Formulation
Determination of Emtricitabine from Pharmaceutical Dosage Form By extractive ion pair complex colorimetric method
RP-HPLC Method Development and Validation for Simultaneous Estimation of Pravastatin and Bempedoic acid in Bulk and Pharmaceutical Formulation
Determination of Sodium and Potassium in Groundwater (Borewell) Samples of Baglan Region of Maharashtra by Flame Photometry
Synthesis, Characterization and Antimicrobial Studies of Transition Metal Complexes with Triazine-5-hydrazones of o-anisaldehyde
Simultaneous Quantification of Berberine and Curcumin in Combined Extract Form and Polyherbal Marketed Formulation
Air Pollution: Health Impact and Control
Synthesis, and Evaluation of Novel N-(5-cyano-6-phenyl-2-thioxo-2,3-dihydropyrimidin-4-yl)-2-(phenylamino) acetamide derivatives by In silico investigations as an anticancer scaffold
Analysis of traces of the transferred paints by X-ray Fluorescence and UV-Vis spectroscopy to identify the suspect
Biological Activity of Substituted Benzothiazoles
Importance of GC-MS for Analyzing Sars-Cov-2 Drugs in Biological Sample
Review on Drugs Acting on Candida Infection and Their Treatment

Tags


About Journal

Asian Journal of Research in Chemistry (AJRC) (ISSN: print-0974-4169, Online-0974-4150) is an international, peer-reviewed journal devoted to pure and applied chemistry. AJRC publishes Original Research Articles, Short Communications, Review Articles in all aspects of chemistry. Topics covered including the traditional areas of analytical, inorganic, organic, biochemistry, forensic, physical-theoretical chemistry as well as newer interdisciplinary areas such as agriculture, materials science, computational, medicine, spectroscopy, polymers, supramolecular, surface, chemical physics, biological, medicinal/ drugs, environmental and pharmaceutical chemistry.
The journal is published quarterly every year in last week of March, June, September and December. From January 2011, is monthly and shall be published every year in last week of Month.    
Read More  

Visitors

Today: 1202
Yesterday: 770
Total: 1721513