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首页> 外文期刊>Der Pharma Chemica: journal for medicinal chemistry, pharmaceutical chemistry and computational chemistry >Interpretation and studies of the visible spectra and to exploit properties of polyenes and to develop a new method for classroom experimental studies by use of one dimensional box Model
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Interpretation and studies of the visible spectra and to exploit properties of polyenes and to develop a new method for classroom experimental studies by use of one dimensional box Model

机译:解释和研究可见光谱和利用多烯的性质,并为利用一维盒子模型进行课堂实验研究开发一种新方法。

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Polyenes are the long chain molecules derived from the polymerization of acetylene. These are linear conjugated oligomers, which posses alternate double bonds. The π - electrons are completely delocalized over the entire molecule which can be considered as a one dimensional box. We have applied particle in one dimensional box model to interpret the electronic spectra and to study other properties of few of the synthetic and natural polyenes. We have also made an effort to predict λmax and other properties of few of the hypothetical polyenes. Furthermore we have carried out a detailed study of conducting polymers. In addition, this paper describes an experiment in which Lycophene compound which is present in Tomato is used to model the particle in one dimensional box system. This idea may expose students to the chemistry of natural substances. The results of the quantum mechanical model indicates less error for small length polyenes where as error increases as the chain length increases.
机译:多烯是衍生自乙炔聚合的长链分子。这些是线性共轭低聚物,具有交替的双键。 π-电子在整个分子上完全离域,可以视为一维盒子。我们将粒子应用于一维盒子模型中以解释电子光谱,并研究少量合成和天然多烯的其他性质。我们还努力预测了几种假设的多烯的λmax和其他性质。此外,我们对导电聚合物进行了详细的研究。另外,本文描述了一个实验,其中番茄中存在的番茄红素化合物用于在一维Box系统中对颗粒进行建模。这个想法可能使学生接触到天然物质的化学作用。量子力学模型的结果表明,对于小长度的多烯来说,误差较小,其中随着链长的增加,误差增加。

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