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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Reply to the “Comment on ‘The Concept of Protobranching and Its Many Paradigm Shifting Implications for Energy Evaluations’”
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Reply to the “Comment on ‘The Concept of Protobranching and Its Many Paradigm Shifting Implications for Energy Evaluations’”

机译：答复“关于“原支化的概念及其对能源评估的许多范式转变的影响”的评论”

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摘要

Baeyer’s seminal 1885 “strain” theory of cycloalkanes considered ethylene (“dimethylene”) as the “simplest methylene ring” and was based on the deviations of regular polygon angles from the 109.47° tetrahedral value.1 Although none of the qualitative trends predicted by this model agreed with the actual energies of hydrocarbon rings, when they were determined decades later, “strain” became an guiding principle of organic chemistry and a cornerstone of conformational analysis.2 But strain energies cannot be measured directly; they are relative, rather than absolute quantities that must be defined and assessed by comparison with reference species considered by convention to be “strain free”. But the selection of such standards is arbitrary, and serious differences of opinion exist concerning the best choices of references and the justification for selecting one method of evaluation over another.
机译：拜耶1885年开创性的环烷烃“应变”理论将乙烯（“二亚甲基”）视为“最简单的亚甲基环”，并且基于规则多边形角度与109.47°四面体值的偏差。1该模型与烃环的实际能量相符，数十年后确定时，“应变”成为有机化学的指导原则和构象分析的基石。2但是应变能无法直接测量。它们是相对的，而不是绝对的数量，必须通过与常规认为是“无应变”的参考物种进行比较来定义和评估。但是，选择这样的标准是任意的，关于最佳参考文献的选择以及选择一种评估方法而不是另一种评估方法的理由存在严重的意见分歧。

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