Structure Property Relations in a Novel Class of Electroactive Star Molecules

该奖项授予特拉华州大学材料研究部的固态化学项目，旨在研究一类新的电活性分子的结构和性质关系。已经有几个研究小组证明，双金属分子具有高迁移率，但是在迄今为止制造的许多双金属材料中，很难设计最高能量占据分子轨道（HOMO）和最低能量未占据分子轨道（LUMO）能级。 PI小组通过早期研究开发的包含四取代苯基核和4个电活性臂的离散星星分子的合成方案是非常通用的，并且允许通过分子中的对称性变化来设计能级和液晶相。 凭借这一奖项，Galvin教授和她在Zelinski有机化学研究所的合作者将制备含有交替供体[（2，5-bis（2-thienyl）-N-dodecylpyrrole）（TPT）]和受体[（2，1，3-benzothiadiazole）（B）]单元、胺封端的恶二唑、亚苯基亚乙烯基或噻吩并噻吩基基团的新恒星。使用这些新的武器，研究人员将学习如何控制HOMO和LUMO水平，使分子吸收红色，这是光化学的关键属性，并描绘控制这些材料性能的结构/属性关系。 参与该项目的学生（包括本科生）将获得跨学科的教育，并为他们在工业中发挥作用做好准备，在工业中，团队合作和跨学科合作至关重要。该项目旨在培养对聚合物和有机分子的理解，并正确地设计它们，以生产灵活，坚固和耐用的材料，用于太阳能电池的潜在应用。 该奖项将解决诸如分子之间的间距和薄膜中分子的组织如何影响其在太阳能电池中的性能等问题。 使用包括太阳能电池在内的可再生能源是减少美国对外国石油依赖的许多方法之一。 此外，从事该项目的学生将在材料科学，化学和物理的最前沿接受培训，并为进入工业并领导先进材料和太阳能电池的发展做好充分准备。 此外，他们将与其他科学家，包括来自莫斯科Zelinski有机化学研究所的有机化学家组成一个团队，为担任工业领导职务做准备。

This award to University of Delaware by the Solid State Chemistry program in the Division of Materials Research is to study structure and property relationship in a new class of electroactive molecules. It has been demonstrated by several groups that discotic molecules have high mobilities, but in many of the discotic materials made to date, it is difficult to engineer highest energy occupied molecular orbital (HOMO) and lowest energy unoccupied molecular orbital (LUMO) levels. The synthetic scheme developed by the PI's group by earlier studies for discotic star molecules that contain a tetra substituted phenyl core and 4 electroactive arms is quite versatile and allows for engineering the energy levels and liquid crystalline phases via symmetry changes in the molecules. With this award, Professor Galvin and her collaborators at Zelinski Institute for Organic Chemistry will prepare new stars containing alternating donor [(2,5-bis(2-thienyl)-N-dodecylpyrrole) (TPT)] and acceptor [(2,1,3-benzothiadiazole) (B)] units, amine terminated oxadiazole, phenylenevinylene or thienothiophene groups. Using these new arms, the investigators will learn how to control HOMO and LUMO levels, make molecules that absorb in the red, a property critical to photovoltaics, and delineate the structure/property relationships that govern the performance of these materials. Students, including undergraduate students, working on this project will obtain an interdisciplinary education, and prepare them to function in industry, where teamwork and collaborating across disciplines are essential.This proposal is aimed at developing an understanding of polymers and organic molecules, and engineering them correctly to produce flexible, sturdy and durable materials for potential applications in solar cells. This award will address questions like how does the spacing between molecules and organization of molecules in films affect their performance in solar cells. Use of renewable energy sources including solar cells is one of many approaches to reduce dependence of United States on foreign oil. In addition, students working on this project will be trained at the forefront of materials science, chemistry and physics and well prepared to go into industry and lead the development of advanced materials and solar cells there. Additionally, they will work in a team with other scientists, including organic chemists from the Zelinski Institute of Organic Chemistry in Moscow, adding to their preparation for assuming leadership positions in industry.