Physics

Scientists capture 3D images of molecular orbitals in groundbreaking achievement

How the science connects

Quantum mechanicsMolecular orbital …Electron microscopy

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Researchers have successfully imaged molecular orbitals in three dimensions, visualizing the probability distributions that describe where electrons are likely to be found within molecules. These electron wavefunctions, called molecular orbitals, determine how molecules interact with light and participate in chemical reactions. The advancement represents a significant step toward creating femtosecond-scale videos of molecular processes.


This imaging technique could enable scientists to observe chemical reactions and molecular interactions as they occur at extremely fast timescales. Understanding molecular orbitals in 3D may lead to better design of materials, drugs, and catalysts by revealing the fundamental quantum mechanical processes that govern molecular behavior.


One of the most famous and intriguing results of quantum mechanics is the finding that fundamental particles, such as electrons, cannot be pinned down to one single location. Instead, a particle is described by its “wavefunction,” which allows researchers to derive probability distributions—a sort of mathematical map that shows the possibilities—of fundamental properties such as its position and momentum. In particular, the electron wavefunctions within a molecule, known as “molecular orbitals,” carry information about how the molecule interacts with its surroundings. For example, they show how it may absorb light or how a chemical reaction might take place.

Source: Molecular orbitals imaged in 3D, opening path to femtosecond videos