Cyclopentadienyl System: Solving the Secular Determinant, π Energy, Delocalization Energy, Wave Functions, Electron Density and Charge Density

Vikram R. Jadhav; Jamdhade Madhuri; Wadhawane Pooja; Y.R. Baste

doi:10.15415/jce.2020.62002

Authors

Vikram R. Jadhav K.K. Wagh Art’s, Commerce and Science College, Pimpalgaon Baswant, Maharashtra-422209, India
Jamdhade Madhuri K.K. Wagh Art’s, Commerce and Science College, Pimpalgaon Baswant, Maharashtra-422209, India
Wadhawane Pooja K.K. Wagh Art’s, Commerce and Science College, Pimpalgaon Baswant, Maharashtra-422209, India
Y.R. Baste K. S. K. W. Arts, Science and Commerce College, Uttamnagar, Cidco, Nashik, Maharashtra-422010, India

DOI:

https://doi.org/10.15415/jce.2020.62002

Keywords:

Charge density, cyclopentadienyl system, electron density, Hückel theory, secular equation

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.

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