BYU

Abstract by Ashley Holdaway

Personal Infomation


Presenter's Name

Ashley Holdaway

Degree Level

Undergraduate

Abstract Infomation


Department

Chemistry and Biochemistry

Faculty Advisor

Daniel Ess

Title

Computational Models for Sn(IV) Mediated Benzene C-H Activation

Abstract

Currently, the most efficient homogeneous C-H functionalization catalysts of alkanes and arenes use transition metal catalysts that operate by a C-H activation reaction. Main-group metals are advantageous due to their low cost and abundance. Our group uses density functional theory (DFT) computational methods to examine the possibility of p-block, main-group metals for C-H activation. My talk will discuss our DFT study examining mononuclear, dinuclear, and tetranuclear Sn models for a benzene metalation reaction.