STUDY OF ATOMIC CHARGE VALUES AND SELECTED ENERGETIC PARAMETERS OF 1-(P-TOLYLAZO)NAPHTHOL-2 USING HYPERCHEM SOFTWARE AND COMPARISON WITH CHEMOFFICE RESULTS
DOI:
https://doi.org/10.56292/SJFSU/vol31_iss4/a%25pKeywords:
1-(p-toluylazo)naphthol-2, Hyperchem program, charge distribution, heat of formation, IR, UV.Abstract
In this study, the results of the study of the empirical heat of formation, semiempirical heat of formation, bond lengths, atomic charge values, IR spectra, HOMO-LUMO (2D and 3D states), and UV spectra of 1-(p-toluylazo)naphthol-2 in the Hyperchem program were presented. The theoretical data obtained in ChemOffice, Hyperchem, were compared with the results obtained in real (applied research).
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