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首页> 外文期刊>Chemistry: A European journal >Structural Transformations in a Crystal during the Photochemical Reaction of 2-Benzyl-5-benzylidenecyclopentanone
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Structural Transformations in a Crystal during the Photochemical Reaction of 2-Benzyl-5-benzylidenecyclopentanone

机译：2-苄基-5-亚苄基环戊酮的光化学反应过程中晶体的结构转变

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摘要

The studies presented are the first example in which the substrate and product molecules were monitored separately over many stages during the chemical reaction progress in a crystal to understand the reaction path of the molecules in detail during the whole transformation .The BBCP,w-benzyl-5-benzyllidenecyclopentanone,single crystal was irradiated without any destruction over several steps.After each of step the X-ray structure with a different substrate/product and with a disorder was determined.The study revealed that the photochemical[2+2]cycloaddition reaction of BBCP in a crystal does not exhibit cooperative character and can be regarded as of the first-order.During the transformation the product molecules do not adopt the position of the molecules in the final pure dimer crystal, but move gradually and smoothly in this direction.The movement of the molecules was also observed for the substrate.The product and reactant molecules bears a rotational component.The distance between reaction centres of adjacent BBCP substrate molecules decreases fluently with the progress of the reaction but it does not get smaller than a sum of van der Waals radii.
机译：所提供的研究是第一个实例，其中在晶体的化学反应过程中，在多个阶段分别监测了底物和产物分子，以详细了解分子在整个转化过程中的反应路径。 5-苄叉基环戊酮经数步照射后未受到任何破坏。每一步后，测定了底物/产物不同且无序的X射线结构。研究表明，光化学[2 + 2]环加成反应晶体中的BBCP分子没有表现出协同特性，可以被认为是一阶的。在转化过程中，产物分子没有采用分子在最终纯二聚体晶体中的位置，而是在该方向上逐渐平滑地移动在底物上也观察到了分子的运动，产物和反应物分子带有旋转分量。相邻BBCP底物分子的反应中心随着反应的进行而顺畅地降低，但不小于范德华半径之和。

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