High-resolution microscopy pattern showing lobed features around a single metal atom

Unit 05 Quantum Model of the Atom

Observing ElectronOrbital Signatures

Article

Chen, P., Fan, D., Selloni, A., et al. (2023). Observation of electron orbital signatures of single atoms within metal-phthalocyanines using atomic force microscopy. Nature Communications, 14, 1460.

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The article is open access under a Creative Commons Attribution licence, which makes it especially suitable for an educational website when properly credited.

Abstract

The electronic structure of an atom strongly influences how that atom forms bonds and participates in chemical reactions. However, examining the electronic structure of an individual atom within a molecule is extremely difficult. In this study, researchers examined iron (Fe) and cobalt (Co) atoms located inside phthalocyanine molecules. They used high-resolution non-contact atomic force microscopy, force spectroscopy, and quantum-mechanical calculations to investigate differences between the two metal atoms.

The researchers observed clear differences between Fe and Co. The cobalt centre appeared brighter and contained four distinctive lobe-like features, while the iron centre produced a more square-shaped pattern. Force measurements also showed a measurable difference between the two atoms. Computational modelling linked these differences to the occupation of several 3d orbitals, including dₓz, dᵧz and dᶻ² orbitals. The researchers concluded that atomic-force microscopy combined with quantum calculations can reveal orbital-related signatures of individual atoms and could help scientists better understand chemical bonding and reaction mechanisms.

Connection to Our Curriculum

01

Electrons Are Not Tiny Planets

The modern quantum-mechanical model does not describe electrons as travelling around the nucleus in fixed circular paths. Instead, electrons are described using wavefunctions and probability distributions.

02

Atomic Orbitals

An orbital represents a region where there is a high probability of finding an electron.

s, p, d and f

03

d Orbitals

Iron and cobalt are transition metals and their electron configurations involve 3d orbitals. The research specifically found that differences involving d-orbital occupation contributed to the different AFM measurements for Fe and Co.

04

Electron Configuration

Iron and cobalt have different numbers and arrangements of electrons. The researchers calculated different local magnetic moments and d-orbital occupancies for Fe and Co in the molecules they studied.

  • Electron density
  • Bonding
  • Magnetic behaviour
  • Interactions with surrounding atoms
05

Why This Matters

Understanding electron structure allows scientists to predict and explain bond formation, reaction mechanisms, molecular structure, catalytic behaviour, and material properties. The researchers specifically discuss possible applications for identifying chemically active sites and understanding catalytic processes.

Important Clarification

The scientists did not take a photograph of electrons travelling in orbitals.

The AFM detects interactions between the microscope tip and the sample.

Researchers then combine those experimental measurements with density functional theory calculations to relate the patterns to electron orbital occupation.

Catholic Graduate Expectation

OCSGE 7A Responsible Citizen

Unlike some of the other articles, this research does not focus immediately on an environmental problem. Instead, it demonstrates the importance of fundamental scientific knowledge.

Understanding matter at the atomic level can eventually help researchers create better catalysts and more efficient chemical processes. Scientific knowledge becomes especially valuable when it is used to reduce waste, save energy, improve technologies, or solve problems that affect society.

A responsible scientist must conduct research with accuracy, honesty, and integrity and consider how new scientific knowledge may eventually be applied. Using knowledge to create technologies that improve human life and protect the environment reflects responsibility toward the common good.

Key Takeaway

The quantum model explains chemical behaviour by describing electrons using orbitals, probabilities and quantized energy states rather than fixed paths around the nucleus.