Large quantities of light alkanes from natural gas and readily available aromatic hydrocarbons provides motivation to develop homogeneous catalytic C-H bond functionalization reactions. A long-term goal of my group is to use computational chemistry tools to develop general principles on mechanisms, intermediates, reactivity, and selectivity for hydrocarbon C-H functionalization reactions by p-block main-group compounds as well as provide prediction of new catalysts. Read about our work on TlIII, PbIV, IIII, and HgII (Science 2014, 343, 1232; Angew. Chem. Int. Ed. 2014, 53, 10490; Organometallics 2015, 34, 5485; ACS Catal. 2016, 6, 4312; Organometallics, 2017, 36, 109).
![Alkane C-H](https://brightspotcdn.byu.edu/dims4/default/0f712dc/2147483647/strip/true/crop/521x193+0+0/resize/521x193!/quality/90/?url=https%3A%2F%2Fbrigham-young-brightspot-us-east-2.s3.us-east-2.amazonaws.com%2F95%2F2c%2F48aaef7c44989dbe87e6b4a983df%2Falkane-c-h.jpg)
We thank the U.S. Department of Energy, Office of Basic Energy Sciences, Catalysis Sciences for support of this work “Theory of Main-Group, p-Block Hydrocarbon Functionalization Reactions” DE-SC0018329.