CAREER: Fundamental Studies of Multidentate Halogen Bond Donors for Supramolecular Catalysis

在美国国家科学基金会化学部大分子、超分子和纳米化学项目的支持下，蒙大拿大学的贝里曼教授进行了研究，以更好地从根本上了解分子之间的相互作用，并为开发加速化学反应的新方法提供见解。本研究旨在开发一类新型催化剂，以更有效地合成含硫化合物。考虑到有用的含硫药物的广泛范围，本研究具有推动药物开发和造福社会的潜力。此外，教育和外展活动旨在激励学生并扩大他们在科学领域的参与。具体地说，在光谱科学博物馆和美洲原住民保留地，3D打印的晶体结构模型被用作互动学习工具。3D打印模型也被用来帮助大学课程中的X射线结晶学教学，并帮助高中生理解分子识别和形状选择的概念。Berryman团队进行研究，以获得对有机给体与软硫化物和pNictogen Lewis碱之间卤素键相互作用的强度、结构和性质的基本了解。他的团队进一步研究了多齿卤素结合受体是否可以选择性地结合和催化软底物的反应。这项研究的一个重要目标是解决卤素键相互作用是否可以发展为一种新的有机催化类型的问题。更广泛的影响的目标是开发实践方法来教授X射线结晶学，并激励未被充分代表的学生探索科学教育。触觉方法提高了学生的学习能力？对结构的基本理解和对化学的欣赏。3D打印技术被用来将晶体结构坐标转换成可以可视化、持有和操纵的有形模型。

With the support from the Macromolecular, Supramolecular and Nanochemistry program of the NSF Division of Chemistry, Professor Berryman of the University of Montana, conducts research to gain a better fundamental understanding of the interactions between molecules and to provide insights for developing novel approaches to accelerate chemical reactions. This research aims to develop a new class of catalysts for more efficient synthesis of sulfur containing compounds. Considering the wide range of useful sulfur containing pharmaceuticals, this research has the potential to help advance drug development and benefit society. Additionally, educational and outreach activities are designed to inspire students and broaden participation in science fields. Specifically, 3D printed models of crystal structures are used as an interactive learning tool at the spectrUM science museum and on Native American reservations. 3D printed models are also used to facilitate the teaching of X-ray crystallography in university courses and help high school students understand the concepts of molecular recognition and shape selectivity.The Berryman group performs studies to obtain a fundamental understanding of the strength, structure and nature of halogen bonding interactions between organic donors and soft chalcogen and pnictogen Lewis bases. His group further investigates whether multidentate halogen bonding receptors can selectively bind and catalyze the reactions of soft substrates. An important goal of this research is to address the question of whether halogen bonding interactions can be developed into a new genre of organocatalysis. The goal of the broader impacts is to develop hands-on methods to teach X-ray crystallography and inspire underrepresented students to explore science education. A tactile approach improves students? basic understanding of structure and appreciation of chemistry. 3D printing technology is exploited to translate crystal structure coordinates into tangible models that can be visualized, held and manipulated.