Structure/Property-Relationships for Second-Order Organic Nonlinear Optical Materials

这个协作奖是在材料化学和化学加工倡议下颁发的，得到了化学和材料研究部门的支持。本研究的主题是为优化有机材料的二阶非线性光学性质而发展的结构-性质关系。目标是在理论研究的指导下，开发和实施合成策略，通过调节pi-电子体系中给体和受体之间的键交替程度来优化分子超极化率。一种新的理论方法将被用来计算与非线性光学生色团相关的有效非谐势面。光谱研究将提供键变化的定量测量。这些测量与超极化率测量相关联，将为合成优化结构提供基础。新的优化材料将制造出可行的快速、低功耗、高对比度的电光开关元件。在电信、光学数据存储和光学信息处理等应用中需要具有大二阶非线性的材料。

This collaborative award, made under the Materials Chemistry and Chemical Processing Initiative, is supported by the Divisions of Chemistry and Materials Research. The theme of the research is the development of structure-property relationships for optimizing second-order nonlinear optical properties of organic materials. The goal is to develop and implement synthetic strategies, guided by theoretical studies, which will optimize molecular hyperpolarizability by tuning the degree of bond alternation in the pi-electron system between donor and acceptor. A novel theoretical method will be used to calculate the effective anharmonic potential surfaces associated with the nonlinear optical chromophores. Spectroscopic studies will provide a quantitative measure of bond alternation. These measurements, correlated with measurements of hyperpolarizability, will provide the basis for synthesizing optimized structures. New optimized materials will make feasible fast, low-power, high-contrast electrooptic switching elements. %%% Materials with large second order nonlinearities are desired in applications such as telecommunications, optical data storage, and optical information processing.