Supramolecular design of pi-electron functional materials

π电子功能材料的超分子设计

• 批准号: RGPIN-2018-06500
• 负责人: Perepichka, Dmitrii
• 金额: $ 6.85万
• 依托单位: McGill University
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2019
• 资助国家: 加拿大
• 起止时间: 2019-01-01 至 2020-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=692513
• 关键词: Supramolecular; design; pi; electron; functional

Design and synthesis of new pi-electron functional materials allows answering fundamental physical chemistry questions, and play an enabling role in a wide spectrum of applications from pigments and fluorescent labels, to semiconducting devices and electrochemical energy storage media. Our current understanding of optoelectronic properties of such materials is very advanced at the level of single molecules, but is rather limited in situations when the interaction of the molecules with each other and with interfaces are important. Our goal is to understand how electronic properties of organic matter arise and can be controlled at supramolecular level, and use this understanding to create novel types of semiconducting materials where an electronic conductivity arises as a result of programmable molecular self-assembly.***This discovery grant will continuously involve 5 graduate students and w undergraduates in research towards this goal through the following short-term 4 projects/objectives. We will:***1) Develop novel dynamic covalent chemistry suitable for self-assembly of ordered pi-conjugated polymers and covalent organic frameworks (COFs) under thermodynamic equilibrium. Our first target is aldol cyclization of cyclic ketones leading to rigid conjugated systems with dipole-dipole stabilization.***2) Develop omniconjugated building blocks that provide efficient electronic communication in several direction (no “cross-conjugation”). This will be accomplished by the use of (i) sexitopic and (ii) stable pi-radicals “nodes”, which will used as monomers for highly conjugated COFs and as cores for star-shaped molecular materials.***3) Gaining control of electronic properties in organic semiconductors via complementary hydrogen bonding. Coassembly of p- and n-type semiconductors and electronic polarization due to H-bonding will lead to strong band-gap modulation (giving rise to intrinsic semiconductors) and can lead to conducting channels that can be turned-on by interaction with H-bonding complementary pairs (including biomolecules).***4) Understanding the role of external factors (other than molecular or crystal structure) in controlling the charge transport through organic semiconductors. This will have an immediate impact on the current field of organic field effect transistors (FET), and is a critical step for the future development of self-assembled electronic devices.***The scientific impact of this work will be (a) new knowledge at the interface of organic chemistry and solid state physics, that will help stirring the current field of organic electronics along our long term vision and (b) novel electronically functional materials that will advance the current device technologies (FETs, solar cells), can enable novel applications, and will foster collaborations with materials physics and biochemistry groups.

新的Pi-Electron功能材料的设计和合成允许回答基本的物理化学问题，并在从颜料和荧光标签到半导体设备和电化学能量存储媒体的广泛应用中发挥了有效作用。我们目前对此类材料的光电特性的理解在单分子的水平上非常先进，但是当分子相互相互作用彼此以及与接口的相互作用时，在情况下相当有限。我们的目标是了解有机物的电子特性是如何出现的，并且可以在超分子级别进行控制，并利用这种理解来创建新型的半导体材料类型，在这些材料中，由于可编程的分子自组装而产生电子电导率。我们将：*** 1）开发新型动态共价化学，适合于热力学平衡下有序的PI共轭聚合物和共价有机框架（COF）的自组装。我们的第一个目标是对环环酮的藻环化，从而导致具有偶极偶极稳定的刚性共轭系统。*** 2）开发omniconJugat的构件，这些构件可在多个方向上提供有效的电子通信（无“交叉缀合”）。这将通过使用（i）六重和（ii）稳定的pi-Radicals“节点”来实现，该“节点”将用作高度共轭的COF的单体，并用作星形分子材料的核心。 P和N型半导体和由于H键键而导致的电子极化的汇合将导致强烈的带隙调节（产生固有的半导体），并可能导致可以通过与H-Bonding Pertantery Pairs成对的运输（包括生物分子）（包括生物分子）（包括分子）的作用来导致可以通过与H-Bond的完整性成绩进行相互作用而转换的通道。*** 4）。*** 4）。半导体。这将对当前有机场效应晶体管（FET）的领域产生直接影响，是未来发展自组装的电子设备的至关重要的一步。**** ****这项工作的科学影响将是（a）有机化学和固态物理学的界面上的新知识，将有助于沿着我们的长期以来的远景和稳定性的电子技术领域（B）的电视范围（B），这将有助于我们的当前功能（b）的电视范围（b）的电视范围（b），b）的（b）远景（B）的（b）的新知识（b）的（b）的电视范围（b）的（b）的（b）的远景（b）的（b）远景（b）的（b）的电视领域（B）太阳能电池），可以启用新颖的应用，并将促进与材料物理和生物化学组的合作。