Studies in Physical Organic Chemistry

有机化学和高分子化学项目继续支持耶鲁大学化学系教授Kenneth B.Wiberg的工作。这项研究将结合实验和理论技术来研究有机分子的电子激发态和光谱性质。将开展研究，以了解影响光学旋光强度、紫外线和可见光吸收以及核磁共振化学位移等性质的分子因素，这些因素都涉及电子激发态。这些研究的目标不仅是对这些性质进行准确的计算，而且还提供对决定其大小的电子效应的了解。实验数据还将检验理论方法在再现实验结果方面的充分性。这些研究有可能导致光学活性的分子基础理论，预计将对生物和医药界产生广泛的积极影响。

With this renewal award, the Organic and Macromolecular Chemistry Program continues its support of the work of Professor Kenneth B. Wiberg, of the Chemistry Department at Yale University. The research will combine experimental and theoretical techniques to investigate electronically excited states and spectral properties of organic molecules. Studies directed toward an understanding of the molecular factors responsible for properties such as optical rotatory strength, ultraviolet and visible absorptions, and NMR chemical shifts, which all involve electronically excited states, will be carried out. The goal of these investigations is not only to undertake accurate calculations of these properties but also to provide an understanding of the electronic effects that determine their magnitudes. The experimental data will also provide tests of the adequacy of the theoretical methods in reproducing experimental results. These studies, with their potential of leading to a theory of the molecular basis of optical activity are expected to have broad positive impact upon the biological and pharmaceutical communities.