![]() The eigenvalues near the middle play an important role in the Hückel model of π-electron systems. We use conventional notation with G a simple connected (molecular) graph with vertex set V ( G)=, where λ 1≥λ 2≥⋯≥λ n. finite graphene fragments) and buckytubes, bringing our understanding beyond that of individual case-by-case numerical values. Here, the aim is to develop further general results, for the HOMO–LUMO gap, for the whole class of benzenoids (i.e. ) was essentially ‘chemical graph theory’, albeit not then so described. Of course, throughout the more traditional chemical literature (say from the 1950s on), there was an extensive effort to deal with the HOMO–LUMO gap mostly in an explicit consideration of individual molecules case by case. In the last decade or so attempts to counterbalance this have been made. In the last few decades, ‘chemical graph theory’ has developed, with a significant fraction of the work directed towards conjugated π-networks in the context of the tight-binding Hückel model, although only a rather modest effort was initially directed to the HOMO–LUMO gap. But also comparable experimental interest has developed concerning carbon nanotubes, graphenic strips and different modest decorations to these species, while interest in traditional benzenoids has been maintained, and much extended further, for graphene, as well as large benzenoids and buckytubes, much interest has developed regarding decorations. The average value of energy gap of PT, P3TAA, PPY and Chlo were 1.23 eV, 1.08 eV, 2.23 eV and 1.10 eV respectively.Conjugated-carbon nano-structures have played a central part in chemistry for well over a century, with intense interest (and three Nobel prizes) during the last couple of decades for work on conjugated (possibly metallically conducting) polymers, novel fullerene cages and single-layer graphene. The LUMO energy levels of PT, P3TAA PPY and Chlo were 5.84 eV, 5.34 eV, 1.10 eV and 3.85 eV respectively, while HOMO energy levels of PT, P3TAA PPY and Chlo were 4.61 eV, 4.25eV, 3.70 eV and 5.93 eV. The species activity of Chlo was exhibited irreversible electrochemical behavior where only the oxidation process was obviously appeared at range of 0.80 V to 0.95 V. PYY species reaction was exhibited irreversible electrochemical behavior where two oxidation states occur within -0.145 V to -0.202 V and 0.870 V to 1.63 V respectively. Homo vs lumo Pc#The reaction of P3TAA species was exhibited reversible electrochemical behavior, where the range value of oxidation, DE pa and reduction, DE pc were in range of 0.825 V to 1.120 V and -0.230 V to 0.131 V respectively. So that the reaction of PT species was exhibited irreversible electrochemical behavior. The formal reduction potential, E o ¢ is 0.83 (positive) meaning that oxidation process was dominant. The result of voltammogram is showed that the activity of PT species were produced three oxidation and one reduction processes. The working electrode used is indium tin oxide (ITO). The current-voltage measurements for these solutions are performed using cyclic voltammetry method on input voltage from -2.0 V to 2.0 V. PT, P3TAA, PPY and Chlo solutions were prepared in a solvent of acetonitrile at the concentration range of 10 -2 to 10 -4 M. The purpose of this study is to determine the level energy of high occupied molecule orbital (HOMO) and low unoccupied molecule orbital (LUMO) in polythiophene (PT), Poly (3-thiophene acetic acid) (P3TAA), polypyrrole (PPY) and chlorophyll (Chlo) through oxidation and reduction of molecular ions by cyclic voltammetry method. Cyclic voltammetry can be used to investigate the chemical reactivity of species ion via oxidation and reduction process. ![]()
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