Studies in Physical Organic Chemistry

在有机动力学计划和办公室的支持下， 数学和物理科学的多学科活动 董事会肯尼斯B教授化学系的Wiberg 在耶鲁大学，研究控制这些特性的因素， 反应和有机分子的反应性。 通过结合 实验和理论方法，教授Wiberg地址 小环化合物中可能的结构扭曲程度， 由这种变形引起的能量和其他性质的变化。 碳桥连螺戊烷预期具有非常高的 环扭曲的程度，与理论表明存在一个 在中心碳原子处的键角几乎是线性的。 理论和 相关螺戊基阳离子的结构研究解决了这些因素 控制观察到的两种不同类型的重排， 系统. 小环的结构与稳定性问题 环炔和攻击亚甲基和高锰酸盐对 碳-碳双键也是合成和 理论分析 Wiberg教授还探讨了 赤道构象偏好的起源在单取代 环己烷，侧重于仔细分析的构象 甲基的偏好和熵项在 决定构象偏好。 有机分子结构和反应性理论 继续进行实验测试，通过制备 用来探测化学键极限的分子， 从理论上，通过计算分析的粘结问题， 这样的分子。 肯尼思教授B。Wiberg，来自 耶鲁大学化学系，在有机动力学的支持下， 方案和多学科活动办公室 数学和物理科学理事会，探索已知的分子 或者被认为会出现极端的结构扭曲 这些研究 靶向许多种类的分子，特别是那些其中键 形成小环一部分的碳原子的角度被迫偏离 在没有几何形状的情况下， 由这些小圆环来控制 通过这些研究，Wiberg教授 获得有关控制因素的基本知识， 有机分子的性质、反应和反应性。

With the support of the Organic Dynamics Program and the Office of Multidisciplinary Activities of the Mathematical and Physical Sciences Directorate, Professor Kenneth B. Wiberg, of the Department of Chemistry at Yale University, studies the factors that control the properties, reactions, and reactivity of organic molecules. Through a combination of experimental and theoretical approaches, Professor Wiberg addresses the degree of structural distortion possible in small-ring compounds and the changes in energy and other properties that result from such distortion. Carbon-bridged spiropentanes are expected to have a remarkably high degree of ring distortion, with theory suggesting the presence of a nearly linear bond angle at the central carbon. Theoretical and structural studies of related spiropentyl cations address the factors controlling the two different types of rearrangements observed for these systems. Questions related to the structure and stability of small-ring cycloalkynes and the attack by methylene and by permanganate on carbon-carbon double bonds are also targeted for synthetic and theoretical analysis. Professor Wiberg also explores the magnitude and the origin of the equatorial conformational preference in monosubstituted cyclohexanes, focusing on careful analysis of the conformational preference of the methyl group and on the role of entropy terms in determining conformational preferences. Theories regarding the structure and reactivity of organic molecules continue to be tested experimentally, through the preparation of molecules designed to probe the limits of chemical bonding, and theoretically, through the calculational analysis of bonding issues in such molecules. Professor Kenneth B. Wiberg, of the Department of Chemistry at Yale University, with the support of the Organic Dynamics Program and the Office of Multidisciplinary Activities of the Mathematical and Physical Sciences Directorate, explores molecules known or expected to display extreme structural distortions. These studies target a number of classes of molecules, particularly those in which bond angles at carbon atoms forming part of a small ring are forced to deviate markedly from their preferred values in the absence of the geometry enforced by these small rings. Through these studies, Professor Wiberg gains fundamental knowledge regarding the factors that control the properties, reactions, and reactivity of organic molecules.