Please use this identifier to cite or link to this item: http://hdl.handle.net/10603/306604
Title: Crystallization and characterization of pharmacologically important some heterocyclic compounds
Researcher: Arockia Jeya Yasmi Prabha E
Guide(s): Athimoolam S
Keywords: Physical Sciences
Chemistry
Crystallography
Heterocyclic compounds
Synthetic Pharmaceuticals
Agricultural chemicals
University: Anna University
Completed Date: 2019
Abstract: Heterocyclic compounds are essential to life and they play a vital role in the metabolism of all living cells The derivatives of heterocylic compounds have been frequently found as a key structural unit in synthetic pharmaceuticals and agrochemicals Among the all heterocyclic compounds discovered so far nitrogen containing heterocycles are most important class of compounds in pharmaceutical and agrochemical industries The present research is focused on nitrogen based five membered heterocyclic compounds viz pyrazole pyrrolidine and imidazole derivatives and salts of six membered pyridine derivatives namely nicotinic acid and nicotinamide vitamin B3 The selected compounds were synthesized and successfully crystallized to analyze the molecular structure and other interactions in comparison with its theoretically optimized counterparts Chapter 1 deals with introduction about chemical background of the chosen compounds and the theory of different characterization techniques The pharmacological importance of five membered heterocyclic compounds pyrazole pyrrolidine and imidazole moieties and six membered heterocyclic compound pyridine moiety are also described Apart from the single crystal XRD studies as the molecular structures were optimized for minimum energy conformations using the quantum chemical theory a brief introduction about the Hartree Fock HF and Density Functional Theory DFT methods were discussed with classification of basis sets. newline
Pagination: xxix, 295p.
URI: http://hdl.handle.net/10603/306604
Appears in Departments:Faculty of Science and Humanities

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02_certificates.pdf608.01 kBAdobe PDFView/Open
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04_acknowledgements.pdf11.03 kBAdobe PDFView/Open
05_contents.pdf109.81 kBAdobe PDFView/Open
06_list_of_tables.pdf13.2 kBAdobe PDFView/Open
07_list_of_figures.pdf108.69 kBAdobe PDFView/Open
08_list_of_abbreviations.pdf115.82 kBAdobe PDFView/Open
09_chapter1.pdf434.99 kBAdobe PDFView/Open
10_chapter2.pdf1.02 MBAdobe PDFView/Open
11_chapter3.pdf2.89 MBAdobe PDFView/Open
12_chapter4.pdf626.41 kBAdobe PDFView/Open
13_chapter5.pdf535.06 kBAdobe PDFView/Open
14_chpater6.pdf1.58 MBAdobe PDFView/Open
15_chapter7.pdf626.66 kBAdobe PDFView/Open
16_conclusion.pdf105.06 kBAdobe PDFView/Open
17_appendices.pdf.pdf515.72 kBAdobe PDFView/Open
18_references.pdf273.99 kBAdobe PDFView/Open
19_list_of_publications.pdf91.56 kBAdobe PDFView/Open
80_recommendation.pdf114.75 kBAdobe PDFView/Open
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