Synthesis of d- and p-Block Element Molecules, Reagents, and Precursors

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This project is funded by the Chemical Synthesis program of the Chemistry Division. Professor Christopher Cummins of the Massachusetts Institute of Technology develops very small, often reactive compounds that occur in interstellar space. An impact of the work is the collection of data needed by radio astronomers to identify new molecules in space. These molecules also serve to enable the synthesis of new classes of chemicals to generate electronic materials or as components of catalysts for use in chemical industry. The work is highly collaborative with study of the new substances conducted in concert with research groups in academia and at national laboratories. The project is a training ground for the professional development of graduate and undergraduate students and postdoctoral scholars who work together to create new knowledge while exploring and mapping the chemistry of reactive intermediates. Videos of the procedures are posted on YouTube to facilitate adoption of protocols by other researchers and to provide the public with a window into the practice of synthetic chemistry.This project focuses on the development of molecular precursors that can expel a neutral leaving group, such as anthracene, upon application of a stimulus such as irradiation or thermal activation. This provides a means to generate reactive intermediates such as P2, HCP, SO, or an aminophosphinidene. The reactive intermediate can be transferred to a suitable acceptor molecule for reactions carried out in solution, or released into the gas phase to enable studies by molecular beam mass spectrometry, microwave spectroscopy, and laser-induced fluorescence. Isolated reaction products are characterized by multinuclear NMR spectroscopy and X-ray crystallography, and the experimental work is complemented by quantum chemical calculations designed to reveal details of chemical bonding and to elucidate reaction mechanisms by potential energy surface explorations.