凸Hammett图催化有机反应的参数化

IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY

ACS Organic & Inorganic Au Pub Date : 2022-10-11 DOI:10.1021/acsorginorgau.2c00050

Jordi Ballesteros-Soberanas, Cristina Bilanin and Antonio Leyva-Pérez*,

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引用次数: 2

摘要

定量对于化学中合成反应之间的公平比较至关重要。在这里，我们提出了两个新的参数，称为“自适应灵敏度常数”（ρadap）和“衬底电子适应性”（SEA），很容易从Hammett图中获得，以评估（催化）反应用相反的电子转化衬底的能力。这些新的参数允许人们列出反应，无论是否催化，作为底物范围的函数。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Parametrization of Catalytic Organic Reactions with Convex Hammett Plots

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Parametrization of Catalytic Organic Reactions with Convex Hammett Plots

Quantification is essential to fairly compare between synthetic reactions in chemistry. Here we propose two new parameters called “adapted sensitivity constant” (ρ_adap) and “substrate electronics adaptability” (SEA), easily obtainable from Hammett plots, to assess the ability of a (catalytic) reaction to transform substrates with opposing electronics. These new parameters allow one to list reactions, catalyzed or not, as a function of substrate scope.

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来源期刊

ACS Organic & Inorganic Au 有机化学、无机化学-

CiteScore

4.10

自引率

0.00%

发文量

期刊介绍： ACS Organic & Inorganic Au is an open access journal that publishes original experimental and theoretical/computational studies on organic organometallic inorganic crystal growth and engineering and organic process chemistry. Short letters comprehensive articles reviews and perspectives are welcome on topics that include:Organic chemistry Organometallic chemistry Inorganic Chemistry and Organic Process Chemistry.