Quantum Chemical Investigations of Abiotic Dimethylmercury Formation
EMSL Project ID
50011
Abstract
Dimethylmercury is a highly toxic substance that is produced naturally in the environment. Recently, it was shown that dimethylmercury can be formed from monomethylmercury on reduced sulfur minerals and also in the presence of low molecular weight dithiols. Here, we propose to perform relativistic density functional theory calculations to determine the mechanism of this reaction. Assistance from EMSL Staff and access to supercomputing resources will enable rapid completion of the project.
Project Details
Project type
Limited Scope
Start Date
2017-07-21
End Date
2017-09-20
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members