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

在NSF化学部的大分子，超分子和纳米化学计划的支持下，蒙大拿大学的Berryman教授进行研究，以更好地了解分子之间的相互作用，并为开发新方法提供见解以加速化学反应。 本研究旨在开发一类新的催化剂，用于更有效地合成含硫化合物。 考虑到含硫药物的广泛应用，这项研究有可能帮助推进药物开发并造福社会。 此外，教育和推广活动旨在激励学生和扩大对科学领域的参与。具体来说，晶体结构的3D打印模型被用作光谱科学博物馆和美洲原住民保留地的互动学习工具。 3D打印模型还用于促进大学课程中的X射线晶体学教学，并帮助高中生理解分子识别和形状选择性的概念。Berryman小组进行研究，以获得对有机供体与软硫属元素和磷属元素刘易斯碱之间卤素键合相互作用的强度，结构和性质的基本理解。 他的团队进一步研究了多齿卤素键合受体是否可以选择性地结合和催化软基质的反应。本研究的一个重要目标是解决卤键相互作用是否可以发展成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射线晶体学，并激励代表性不足的学生探索科学教育。一个触觉的方法提高学生？对化学结构有基本的理解和欣赏。利用3D打印技术将晶体结构坐标转换为可以可视化，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.