Cyclopentadienyl System: Solving the Secular Determinant, π Energy, Delocalization Energy, Wave Functions, Electron Density and Charge Density
Published: 10 March 2020
Journal of Chemistry, Environmental Sciences and its Applications , Volume 6, pp 21–26-21–26; https://doi.org/10.15415/jce.2020.62002
Abstract: In this study, characteristics of Hückel strategy, were abused so as to acquire some significant outcomes, through a theoretical technique with which it is conceivable to get secular equations, π energy, wave functions, electron density and charge density, as an account of cyclopentadienyl system i.e. C5H5+ (cation), C5H5- (anion), and C5H5. (radical) and permitting the expression of delocalization energy of conjugated cyclopentadienyl ring framework. Here, it was presented the secular determinant of the Hückel technique and applied to cyclopentadienyl system framework so as to communicate their orbital energies of cyclopentadienyl system, also to communicate its electron and charge density in terms of stable configuration of a system. It is settled by the Hückel strategy and applied by the assumptions for nearby comparability such as coulomb integrals, exchange integrals and overlap integrals. This simple way hypothetical strategy will allow to graduate and post graduate understudies to understanding the investigation of stable configuration, electron and charge density and also other parameters.
Keywords: charge density / functions / graduate / configuration / secular / C5H5 / Cyclopentadienyl System / Hückel
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