Workshop on Chemical Bonding and Materials of the Future

Lecture 1, 12:15–12:45. The Rise of Machines, the Demise of Humans, or Why Memristors Matter?

Cina Foroutan-Nejad

Abstract. While you might have not heard about this issue before, we might face an energy shortage for computation in the 2040s. Currently, our demand for computation is increasing linearly while global energy production is nearly constant. Extrapolations suggest that in the 2040s our energy demand for computation will surpass global energy production capacity. In this presentation, Cina will review a potential solution to this lesser-known energy crisis utilizing an electronic element called a memristor. He will go together through the challenges that a chemist may face in developing an ideal molecular-size memristor.

Lecture 2, 12:45–13:30. Exploring Chemical Bonding Beyond Classical Models

Cina Foroutan-Nejad

Abstract. Using a thought experiment, Cina will show that the so-called Pauli Repulsion is an illusion introduced by choosing an arbitrary intermediate state in widely used Ziegler-Rauk energy decomposition analysis (ZR-EDA). Subsequently, he will present evidence that proves the Pauli Repulsion can be manipulated at will. He will introduce a reliable theory as a proper replacement for ZR-EDA and present results based on this theory. As an example of the failure of ZR-EDA, Cina will discuss a novel type of chemical bond called collective bonding. Collective interactions are a novel type of chemical bond between metals and AX3 fragments with an electropositive central atom, A, and electronegative X substituents. Collective bonds are long-range interactions between atoms that are not considered to be bonded within the Lewis formalism. Collective bonding occurs among a large family of widely used organometallics.

Short lectures (10 minutes each, including questions): 13:30 – 14:00

Marius Myreng Haugland: Stable Organic Radicals as Multifunctional Materials. Abstract. Organic molecules that contain unpaired electrons are typically highly reactive, but by careful design of the molecular framework it is possible to make these radicals stable and isolable. Marius will introduce the many exciting potential applications of such stable organic radicals, in particular their use as probes in spectroscopy.

Lukas Konecny: Polaritonic Chemistry Meets Relativity. Abstract. Polaritonic chemistry studies molecules under strong coupling to photonic modes of optical cavities. The strong coupling requires quantized description of the cavity modes, i.e., quantum electrodynamics. Lukas will present a relativistic quantum electrodynamical density functional theory for calculations of cavity modified spectra, and explore the emergence of mixed light-matter states (polaritons), particularly those originating from singlet-triplet transitions that are allowed only under a relativistic description.

Simon Larsen: Isoporphyrinoid-based NIR Dyes. Abstract. Simon will present an introduction to isoporphyrinoids, that is, porphyrin-type molecules with interrupted conjugation, and their potential as NIR dyes.

The workshop will feature lectures by Dr. Cina Foroutan-Nejad of Institute of Organic Chemistry of the Polish Academy of Sciences, followed by short presentations (5-10 minutes) by members of the UiT Department of Chemistry.