In the Hückel Method Application Heksatriena Conjugated Molecules

Abstract

One method used in the calculation of molecular orbital is Hückel molecular orbital method. The purpose of this study is to examine the electronics state transitions heksatriena conjugated molecules, the calculation of the amounts to heksatriena conjugated molecules, and the resulting spectrum. Calculation of molecular orbital calculations is one that is very complicated to do because it requires a complex mathematical calculations and stack output which must be analyzed. Hückel method is a method that uses a simple calculation. This method was developed to study the properties of linear hydrocarbon molecules that have conjugated double bonds. This method is part of a computational method semiempirical molecules. The method used is the modeling of the electronics structure and molecular heksatriena calculated by the Hückel approach. This method will compare the complexity of manual calculations with the calculations have been using the Hückel method. This molecular orbital method will facilitate the construction manual of molecular orbital calculations. By using the software package Matlab Hückel program, will result in the output of the heksatriena molecular scales, along with its spectrum. The spectrum will be seen through the electronic transitions of heksatriena molecules.