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This research aims to evaluate the nature of one-electron σ bonds using X-ray quantum crystallography.

June 14, 2026ChemPhysChem

The Nature of One‐Electron σ ‐Bonds Probed by X‐Ray Quantum Crystallography

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This research aims to evaluate the nature of one-electron σ bonds using X-ray quantum crystallography.
Employed X-ray quantum crystallography models for quantitative bond evaluation.
Analyzed various compounds featuring C•C, C•B, B•B, and Cu•M one-electron bonds.
Examined electron density and bond orders across these compounds.
Electron density at bond critical points was low, comparable to π···π interactions.
Bond orders ranged from ~0.6 to ~1, indicating weak bonding characteristics.
More accurately described as noncovalent interactions instead of covalent bonds.

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Implication

Experimental insights reveal one-electron bonds behave as weak noncovalent interactions in various compounds, suggesting a new understanding of bonding.

Cite This Study

Singh et al. (2026) studied this question.

synapsesocial.com/papers/6a2e46b3b1cc60ccdea8b5bc https://doi.org/10.1002/cphc.70441

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Implication

Experimental insights reveal one-electron bonds behave as weak noncovalent interactions in various compounds, suggesting a new understanding of bonding.

The Nature of One‐Electron σ ‐Bonds Probed by X‐Ray Quantum Crystallography

Key Points

Discussion

Implication

Cite This Study

The Nature of One‐Electron σ ‐Bonds Probed by X‐Ray Quantum Crystallography

Key Points

Discussion

Implication

Cite This Study

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