Category archives: Chemistry

Spin-permutation diabatization, an intuitive map for molecular magnetism

Spin-permutation diabatization, an intuitive map for molecular magnetism

ChemistryDIPC Computational and Theoretical ChemistryQuantum chemistry

By DIPC

Ever since the birth of quantum mechanics in the early twentieth century, chemists have struggled with a fundamental paradox. On one hand, Lewis dot structures and molecular drawings teach us to think of electrons as localized entities—either sitting neatly in lone pairs or shared directly between two bonding atoms. On the other hand, Schrödinger’s wave […]

Hydrogen-based steels gets boost from nickel oxide catalyst

Hydrogen-based steels gets boost from nickel oxide catalyst

CatalysisChemical engineeringChemistryMaterialsMechanical Engineering

By Mapping Ignorance

Steel and metal production are among the largest contributors to global greenhouse gas emissions, accounting for approximately 10% of global CO2 emissions. At the same time, modern technology relies on tailored steels and metals for applications in fields such as mobility, energy, infrastructure, safety and medicine. Hydrogen-based metal production offers a promising CO2-free alternative and […]

Chemical bonding as quantum entanglement

Chemical bonding as quantum entanglement

ChemistryDIPC Computational and Theoretical ChemistryQuantum chemistry

By DIPC

Chemical bonds are among the most familiar ideas in science. They explain why hydrogen and oxygen combine to form water, why carbon atoms build long chains in organic molecules, and why every substance has the shape and properties it does. Yet, despite their central role in chemistry, bonds are not directly observable objects. They are […]

Cosmic bombardment may have opened Earth’s crust for prebiotic chemistry

Cosmic bombardment may have opened Earth’s crust for prebiotic chemistry

BiochemistryBiologyChemistryGeosciencesPlanetary Science

By Mapping Ignorance

Asteroids and planetesimals regularly bombarded Earth between about 4.6 billion and 3.5 billion years ago, during the Hadean and Archean eons. Because few rocks today are more than 4 billion years old, our understanding of the planet’s environment during that time is limited. However, samples from the moon and its cratered surface hint at the […]

Catching intramolecular vibrational redistribution in real time

Catching intramolecular vibrational redistribution in real time

ChemistryQuantum chemistry

By DIPC

Molecules are never truly still. Even in apparently stable matter, atoms vibrate continuously, stretching and bending the chemical bonds that hold them together. These vibrations are not random noise: they determine how molecules absorb light, exchange energy, and undergo chemical reactions. One of the central challenges in chemistry is learning how to direct energy into […]

DFT insights into bond-breaking processes in photoresponsive ruthenium drugs

DFT insights into bond-breaking processes in photoresponsive ruthenium drugs

ChemistryDIPC PhotochemistryPharmacy

By DIPC

Light can do more than illuminate matter. In some metal complexes, it can break chemical bonds in a highly controlled way, releasing specific molecules only when and where light is applied. This idea lies behind photoactivated chemotherapy, a strategy in which relatively inactive compounds become chemically reactive after irradiation. Ruthenium complexes are among the most […]

Why would pressure stretch a chemical bond?

Why would pressure stretch a chemical bond?

ChemistryDIPC Computational and Theoretical Chemistry

By DIPC

Pressure is usually imagined as a force that simply squeezes matter into a smaller space. At the molecular level, however, the story is more subtle. A recent computational chemistry study explored how pressure changes the shapes of molecules and the fleeting structures known as transition states, which appear briefly as reactions occur. The work focused […]

Molecular origami: Crafting ultrasmall nanogels through intramolecular architecture

Molecular origami: Crafting ultrasmall nanogels through intramolecular architecture

ChemistryDIPC Polymers

By DIPC

Nanogels are among the most interesting examples of how chemists can build useful structures by working at the scale of single molecules. They are tiny soft particles made from polymers, long chain-like molecules, that are linked together into small three-dimensional networks. Because they can hold water and trap other molecules inside, nanogels are especially attractive […]

Real-time imaging of the forces that build chemical gardens

Real-time imaging of the forces that build chemical gardens

ChemistryDIPC BiochemistryEvolutionGeosciencesMaterials

By DIPC

The classic chemical garden experiment is a staple of introductory chemistry, where colorful, plant-like structures sprout from metal salt crystals dropped into a solution of sodium silicate. While these vibrant tubes look like biological life, they are entirely inorganic, driven by the physics of osmosis and the chemistry of precipitation. For decades, scientists have admired […]

12 reasons why plastic recycling is failing so badly

12 reasons why plastic recycling is failing so badly

ChemistryEconomicsEnvironmentMaterials

By Invited Researcher

Author: Jordi Diaz Marcos, CCiTUB , Universitat de Barcelona As good citizens, we diligently fill the recycling bins provided by our local authorities with all manner of plastic trays, boxes, bottles and bags. But as these bins fill up quicker and quicker each week, an awkward question arises: is all this effort actually doing any […]