<div dir="ltr">Just a reminder that the theoretical chemistry seminar by Troy Van Voorhis will be TODAY from 4-6 PM in 56-114. As a reminder, refreshments will be available on a first-come first-serve basis approx. 15 minutes prior to the start of the seminar, and there will be a short break after the first half of the talk.<br clear="all"><div><br></div><div><blockquote type="cite" style="color:rgb(0,0,0);font-family:Helvetica,sans-serif;font-size:12px"><div style="word-wrap:break-word"><blockquote type="cite"><div style="font-family:HelveticaNeue,'Helvetica Neue',Helvetica,Arial,'Lucida Grande',sans-serif;font-size:12pt"><div style="font-size:12pt"><div style="font-size:12pt"><div style="font-size:12pt"><div dir="ltr"><div align="center" style="margin-bottom:0in;line-height:16px"><font style="font-size:14pt"><b>Electronic Dynamics in Complex Environments: From Electron Transfer to Singlet Fission</b></font></div><div style="margin-bottom:0in;line-height:16px"><br clear="none"></div><div style="margin-bottom:0in;line-height:16px">Some of the most basic chemical reactions are those that involve primarily the motion of electrons with little rearrangement of the nuclei. Prominent examples include electron transport and excitonic energy transfer as well as more exotic phenomena such as singlet fission. These reactions are the centerpiece of artificial photosynthetic complexes, organic PVs and essentially all of redox chemistry. In treating the dynamics of these reactions, it becomes clear that knowledge of the molecular conformation alone is not sufficient to define a reaction coordinate (since the nuclei may not more appreciably during the course of the reaction). In this talk, we will discuss how the “reactant” and “product” states for these types reactions can be clearly defined using the electron density as the fundamental variable. We will illustrate the utility of this approach using two examples: electron transfer in solution the simulation of singlet fission in organic photovoltaics. </div></div></div></div></div></div></blockquote></div></blockquote></div><div><br></div>-- <br>Michael Mavros<div>Department of Chemistry, Massachusetts Institute of Technology</div>
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