V2EX transition state theory

Transition State Theory

Definition / 定义

过渡态理论:化学动力学中的经典理论,用来解释与计算化学反应速率。它认为反应物在转化为产物时必须先经过一个短寿命的高能“过渡态/活化复合物”,反应速率取决于体系跨越该能垒的概率与频率。(也常用于气相、溶液相及酶催化反应的速率分析。)

Pronunciation / 发音

/trnzn stet θri/

Examples / 例句

Transition state theory helps predict how fast a reaction will occur.
过渡态理论有助于预测一个反应发生得有多快。

Using transition state theory, researchers estimated the rate constant by relating the activation free energy to temperature and molecular partition functions.
研究人员利用过渡态理论,通过将活化自由能与温度和分子配分函数联系起来,估算了速率常数。

Etymology / 词源

该术语由三部分构成:transition(“转变、过渡”)源自拉丁语 transire(穿越、经过);state(“状态”)源自拉丁语 status(站立、位置、状态);theory(“理论”)源自希腊语 theōria(观察、思考)。在化学史上,“过渡态理论”主要与20世纪30年代 EyringEvansPolanyi 的反应速率研究相关,用“过渡态”来描述反应路径上能量最高、最关键的构型。

Related Words / 相关词

Literary Works / 文学与著作例证

  • Henry Eyring (1935), The Activated Complex in Chemical Reactions(提出并系统阐述过渡态/活化复合物思想的经典论文)
  • M. G. Evans & M. Polanyi (1935), Some Applications of the Transition State Method to the Calculation of Reaction Velocities(过渡态方法在反应速率计算中的早期代表作)
  • Peter W. Atkins & Julio de Paula, Physical Chemistry(多版教材中以“Transition State Theory”讲解反应速率与活化自由能)
  • Ira N. Levine, Physical Chemistry(常见教材章节中系统介绍TST与配分函数框架)
  • John I. Steinfeld, Joseph S. Francisco & William L. Hase, Chemical Kinetics and Dynamics(在动力学与反应动力学章节中讨论TST及其适用范围)
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