Events in inorganic chemistry.

Investigating Heme Superoxo and Peroxo Mediated Pathways of Heme Enzymes Using Functional Synthetic Mimics

Abstract: Heme enzymes mediate a plethora of paramount reaction pathways in a wide variety of organisms, including humans, wherein dioxygen activating heme enzymes are prevalent.[1, 2] Interestingly, a number of pivotal geometric and electronic parameters in concert fine-tune such heme centers for their specialized reactivities, which strongly modulate the reactivity properties of their relevant reaction intermediates.

Harnessing static and dynamic disorder for solid-state ion transport

Abstract: Mastery over solid-state ion transport is paramount for broad diversity of applications and technologies, including batteries, fuel cells, neuromorphic computing, and beyond. Disorder – both static and dynamic – plays a crucial role in dictating ion diffusion in the solid state. Our work seeks to understand and harness disorder across time and length scales to impact ion transport processes. The argyrodites Li6PS5X (X = Cl–, Br–, I–, CN–) are amenable to a large degree of both static and dynamic disorder that conspire to influence mobile ion dynamics.

Spin-phonon and spin-electric coupling in magnetic molecules

Abstract: Molecules represent the smallest arbitrarily-designable quantum entities and they show promise for several applications in quantum science. Some difficulties arise from their large number of degrees of freedom which lead to unfavourable spin-phonon coupling pathways, but at the same time they offer significant opportunities, for example tuning the spin-electric coupling that can arise in the presence of significant spin-orbit coupling.

Functional Roles for Non-Canonical Electronic Structures of Iron-Sulfur Clusters

Iron-sulfur proteins are found in all kingdoms of life and carry out some of the most kinetically challenging reactions in the biosphere. In this talk, I will discuss my group’s efforts to understand how the remarkable functions of these proteins derive from the unique electronic structures of their iron-sulfur clusters. Emphasis will be placed on the use of synthetic models to understand how iron-sulfur clusters—typically comprised of mid-valent, high-spin iron centers—perform chemistry reminiscent of low-valent iron, specifically in the binding and activation of π acids such as N2 and CO.

Innovative Approaches towards Clean, Sustainable, and Affordable Catalysis: Exploring the Rational Design of Molecular Catalysts

Abstract: The development of alternative energy sources beyond fossil fuels relies on the activation of small molecules (e.g., H2, O2, CH4) through multi-electron, multi-proton reaction sequences. However, these processes face high kinetic barriers, requiring catalysts capable of mediating multi-electron reactivity.

Probing Interfacial Reactivity using Single-Molecule Conductance

Abstract: Junctions comprising individual molecules “wired” between nanoscale electrodes approach the limit of miniaturization for electronic circuits used in computation and data storage. While model studies of these atomically precise systems expose molecular structure-charge transport property relationships critical for the development of useful electronic components (e.g., wires, switches, or diodes), the wider application, stability, and capabilities of such junctions, for example, to follow chemical bond forming and breaking processes, remain understudied.

Technoeconomic Assessment of New Sorbents and Processes for Point Source CO2 Capture

Abstract: Hard-to-decarbonize industrial activity is expected to account for much of the world’s emissions in 2050.1 Carbon capture is one of several technologies that can help limit the emissions from these sectors. While there are carbon capture plants operating today, new technologies continue to be developed and must be assessed for both technical and economic viability. In this talk, I will discuss our efforts in assessing novel sorbents and electrochemical processes for CO2.

Modeling Studies of Mononuclear Copper Active Sites in Copper Monooxygenases

Abstract: Copper complexes of the active-oxygen species such as superoxide, peroxide, and oxyl have been invoked as the key reactive intermediates not only in a variety of biological oxidation and oxygenation reactions but also in the copper-catalyzed oxidation reactions in synthetic organic chemistry and catalytic oxidation chemistry. In this seminar, our efforts to develop structural and functional models of mononuclear copper reaction centers of copper monooxygenases will be introduced. The topics are as follows.

Establishing Structure—Function Relationships in Metal Sulfide Electrocatalysts to Drive CO2 and CO Conversion to Alcohols

Abstract: The development of solid-state synthetic pathways of earth abundant materials that address the growing dichotomy of simultaneously increasing energy demands and carbon emissions is an imperative that has progressively affected energy-related research efforts. An emerging technical avenue in this area is the conversion of vastly abundant renewable energy sources that can be harnessed and directed towards the synthesis of traditionally fossil fuel-based products from atmospheric feedstocks like CO2.

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