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

Journal of Chemistry, Environmental Sciences and its Applications

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Title Cyclopentadienyl System: Solving the Secular Determinant, π Energy, Delocalization Energy, Wave Functions, Electron Density and Charge Density
 
Creator Vikram R. Jadhav
Jamdhade Madhuri
Wadhawane Pooja
Y.R. Baste
 
Subject Charge density
cyclopentadienyl system
electron density
Hückel theory
secular equation
 
Description 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.
 
Publisher Chitkara University
 
Date 2020-11-07
 
Type info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Peer-reviewed Article
 
Format application/pdf
 
Identifier https://jce.chitkara.edu.in/index.php/jce/article/view/69
10.15415/jce.2020.62002
 
Source Journal of Chemistry, Environmental Sciences and its Applications; Vol 6 No 2 (2020); 21–26
2349-7769
2349-7564
 
Language eng
 
Relation https://jce.chitkara.edu.in/index.php/jce/article/view/69/45
 
Rights Copyright (c) 2020 Vikram R. Jadhav, Jamdhade Madhuri, Wadhawane Pooja & Y.R. Baste
https://creativecommons.org/licenses/by/4.0
 

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