In this thesis, I present the development and benchmarking of several theoretical methods designed to enable the rigorous modeling of magnetic properties of molecules containing one or a few heavy atoms, particularly single-molecule magnets. The new methods use a full four-component treatment of relativity, allowing spin–orbit effects to be taken...
Self-assembled monolayers for matrix-assisted laser desorption/ionization mass spectrometry (SAMDI-MS) is a platform that combines self-assembled monolayers of alkanethiolates on gold and MALDI mass spectrometry analysis to report mass changes resulting from surface reactions. The synthetic flexibility of the monolayer and the use of mass spectrometry as a generalizable readout method...
Nanoparticle synthesis is capable of producing particles with any combination of structure, chemistry, size, shape, and surface. All of the different combinations of these physical properties can produce nanoparticles with almost countless materials properties suited for many applications. Given this interest in using nanoparticles in so many different fields, including...
This dissertation investigates the use of organic and semiconductor nanomaterials as chromophores in solar fuels production and energy transfer-mediated [2+2] cycloadditions. A series of novel N-annulated perylene chromophore amphiphiles was synthesized via a modular synthesis. These perylene amphiphiles were found to self-assemble in aqueous solution, forming extended ribbon-like nanostructures that...
One of the central challenges in solid-state chemistry is synthetic control over structure. Owing to limited reactivity of Pb with transition metals at ambient pressure and high temperature as well as the variety of properties that emerge from the few known binary transition-metal–Pb compounds, this research focuses on accessing and...
Heterogenous catalysis is the pillar of chemical production and a crucial aspect for optimization toward a sustainable future. To improve the current design of heterogeneous catalysts of maximal activity and product selectivity, gaining fundamental understanding of the catalytic active sites is crucial. The nature of active sites has been the...
Discrete molecules, linear and branched polymers, and disordered cross-linked networks are well studied objects of chemical synthesis. However, two-dimensional polymers (2DPs) have been long missing from this continuum of molecular architectures, both in chemical synthesis and in Nature. Recently, new polymerization strategies and characterization methods have enabled the unambiguous realization...
Neurons are sensitive to the mechanical properties of their environment and show better growth, survival and differentiation when they are cultured in soft environments with mechanical properties similar to those of the brain compared to other tissues. Within the central nervous system (CNS), there is also a range of mechanical...
Single-use plastic waste pollution will cause significant harm to the environment if left unaddressed. One possible mitigation strategy is to develop processes, e.g. catalytic hydrogenolysis, that can convert (i.e. upcycle) waste plastics into value-added products capable of participating in a circular economy. Platinum (Pt) catalysts on strontium titanate nanocuboid supports...
Oxide/aqueous and metal/metal oxide interfaces are essential for environmental remediation, catalysis, and corrosion inhibition, in addition to their potential implementation as energy transducers, consumer electronics, and coating products. While these interfaces are critically important, they are difficult to access experimentally under aqueous flow conditions. This thesis describes results obtained with...