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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom
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Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

机译:甲酸与氧原子的构象相关化学反应

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摘要

Conformation dictates many physical and chemical properties of molecules. The importance of conformation in the selectivity and function of biologically active molecules is widely accepted. However, clear examples of conformation-dependent bimolecular chemical reactions are lacking. Here we consider a case of formic acid (HCOOH) that is a valuable model system containing the -COOH carboxyl functional group, similar to many biomolecules including the standard amino acids. We have found a strong case of conformation-dependent reaction between formic acid and atomic oxygen obtained in cryogenic matrices. The reaction surprisingly leads to peroxyformic acid only from the ground-state trans conformer of formic acid, and it results in the hydrogen-bonded complex for the higher-energy cis conformer.
机译:构象决定分子的许多物理和化学性质。构象对生物活性分子的选择性和功能的重要性已被广泛接受。然而,缺乏依赖构象的双分子化学反应的清楚例子。在这里,我们考虑一种甲酸(HCOOH)的情况,它是一个含有-COOH羧基官能团的有价值的模型系统,类似于许多包含标准氨基酸的生物分子。我们发现在低温基质中获得的甲酸和原子氧之间构象依赖性反应的强烈情况。该反应出人意料地仅从甲酸的基态反式构象异构体产生过氧甲酸,并且它导致了用于高能顺式构象异构体的氢键结合的复合物。

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