Category archives: Chemistry

Tuning the excited-state Hückel‐Baird hybrid aromaticity

Tuning the excited-state Hückel‐Baird hybrid aromaticity

ChemistryDIPC Computational and Theoretical Chemistry

By DIPC

Molecules when excited from their ground state (S0) to their lowest electronically excited states often change their electronic structure considerably, which impacts on a range of important molecular properties. For example, the reactivity of a molecule in its excited state often differs markedly from that in its S0 state. Also, the charge distribution within a […]

On-surface synthesis of open-shell porphyrins

On-surface synthesis of open-shell porphyrins

ChemistryDIPC Electronic PropertiesMaterials

By DIPC

In spintronics, new memory and logic devices are being developed based on the use of spins of nuclei, atoms, or molecules, instead of electronic charges. The main advantages are an improved energy efficiency and speed of operation to store and process information. The ability of organic molecules to maintain magnetic multistability in nanoscale junctions will […]

Desorption as a first-order phase transition

Desorption as a first-order phase transition

ChemistryCondensed matterDIPC PolymersPhysics

By DIPC

Adsorption commonly is understood as the reversible binding of molecules and atoms from the gaseous or liquid phase on surfaces, mostly of highly porous adsorbent media. In chemisorption a single layer of molecules, atoms or ions is attached to the adsorbent surface by chemical bonds; in physisorption only van der Waals forces are involved. Adsorption […]

The critical role of single atoms on the electronic properties of a metal organic network

The critical role of single atoms on the electronic properties of a metal organic network

ChemistryDIPC InterfacesMaterials

By DIPC

Organic-based materials have gained rising interest as active components in electronics, energy conversion and catalytic systems. However, the discrete nature of the molecular constituents of these systems implies a reduced electron conductance, lowering the device efficiency. In order to increase the electron delocalization through an improved structural order, which favors orbital overlap and consequently the […]

Labeling anticancer gold complexes to study their organ accumulation in vivo

Labeling anticancer gold complexes to study their organ accumulation in vivo

ChemistryDIPC PhotochemistryPharmacy

By DIPC

Auranofin is a gold (Au) salt classified by the World Health Organization as an antirheumatic agent. It was approved for the treatment of rheumatoid arthritis in 1985, but is no longer a first-line treatment due to its adverse effects on a long-term basis. But the drug is important in another way. The discovery that auranofin […]

Simultaneous ignition of the CO oxidation on a curved platinum surface

Simultaneous ignition of the CO oxidation on a curved platinum surface

ChemistryDIPC Interfaces

By DIPC

Carbon monoxide (CO) oxidation (2CO + O2 → CO2) on platinum (Pt) group metal surfaces is the model heterogeneous gas/surface catalytic reaction. Pt itself is of the upmost importance as a catalyst for car exhaust cleaning or for the water gas shift reaction, whereas Pt crystal surfaces are model systems for investigating the catalytic CO […]

Chirality can be used to control the sign of a maximal Chern number

Chirality can be used to control the sign of a maximal Chern number

ChemistryCondensed matterMaterialsQuantum physics

By DIPC

The magnitude of many of the exotic phenomena predicted for topological semimetals is directly proportional to something called the Chern number. Given the importance of the Chern number magnitude for these phenomena, it is just natural to wonder whether there is an upper limit for it and whether there are real materials in which this […]