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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Fragmentation of deprotonated glycolaldehyde in the gas phase and relevance to the formose reaction
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Fragmentation of deprotonated glycolaldehyde in the gas phase and relevance to the formose reaction

机译：气相中去质子化的乙醇醛的裂解及其与甲醛反应的关系

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From gas phase reactivity studies employing tandem mass spectrometry, the unimolecular dissociation of the corresponding base of glycolaldehyde has been probed under conditions of collisional activation. Three reactions were observed (in order of decreasing abundance): loss of CO, CH_2O, and loss of H_2. Detailed reaction mechanisms for each of the three reactions were obtained by quantum chemical calculations, and the reaction characteristics and energetics were found to be in good agreement with experimental observations. The relevance of these findings to the formose reaction and possible interstellar formation of carbohydrates from formaldehyde is discussed. It is concluded that the critical C-C bond forming reaction between two formaldehyde molecules to give the glycoladehyde is unlikely to occur in the gas phase via a route involving the free formyl anion, thereby precluding a key pathway for interstellar formation of carbohydrates. However, an alternative formation reaction is suggested.
机译：从采用串联质谱的气相反应性研究中，已在碰撞活化条件下探测了相应的乙醇醛碱的单分子解离。观察到三个反应（以降低的丰度顺序）：CO，CH_2O的损失和H_2的损失。通过量子化学计算获得了三个反应中每个反应的详细反应机理，发现反应特性和高能与实验观察结果吻合良好。讨论了这些发现与甲醛反应以及可能由甲醛形成星状碳水化合物的相关性。结论是，气相中不太可能通过涉及游离甲酰基阴离子的途径在两个甲醛分子之间形成C-C键的关键反应生成乙交酯，从而排除了星际形成碳水化合物的关键途径。但是，提出了另一种形成反应。

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