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Solvation Effects on Quantum Tunneling Reactions
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2022-06-22 , DOI: 10.1021/acs.accounts.2c00151
Tim Schleif 1 , Melania Prado Merini 1 , Stefan Henkel 1 , Wolfram Sander 1
Affiliation  

A decisive factor for obtaining high yields and selectivities in organic synthesis is the choice of the proper solvent. Solvent selection is often guided by the intuitive understanding of transition state–solvent interactions. However, quantum-mechanical tunneling can significantly contribute to chemical reactions, circumventing the transition state and thus depriving chemists of their intuitive handle on the reaction kinetics. In this Account, we aim to provide rationales for the effects of solvation on tunneling reactions derived from experiments performed in cryogenic matrices.

中文翻译:

溶剂化对量子隧穿反应的影响

在有机合成中获得高产率和选择性的决定性因素是选择合适的溶剂。溶剂的选择通常以对过渡态-溶剂相互作用的直观理解为指导。然而,量子力学隧穿可以显着促进化学反应,绕过过渡态,从而剥夺化学家对反应动力学的直观处理。在这个帐户中,我们旨在为溶剂化对隧道反应的影响提供基本原理,这些隧道反应源自在低温基质中进行的实验。
更新日期:2022-06-22
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