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Researchers have computationally predicted a three-centre bond in a hypothetical system made of three hydride anions and two positrons. The calculations suggest the positrons can bind the anions in a way analogous to the electrons in a familiar three-centre bond—but no sample of this molecule has been reported.
What did researchers predict?
In a 2022 study, Jorge Charry and coauthors examined a system written as 2e+[H33−]: three hydride anions, each carrying a negative charge, associated with two positrons. Their paper, “The three-center two-positron bond”, was published in Chemical Science 13, 13795 (2022).
Using quantum Monte Carlo simulations, the researchers investigated whether the positrons could stabilize the negatively charged system and how its bonding density was arranged. Chemistry World’s report describes the result as a predicted three-centre, two-positron bond—not a molecule made or observed in an experiment. Chemistry World’s account of the prediction was published on 7 November 2022.
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Fix the driver behind crashes, sound loss and screen glitchesFind Drivers →Repair Windows errors before they cause bigger problemsFix Now →Scan for outdated or missing drivers - takes under a minuteDriver Scan →How can positrons form a bond?
A positron is the positively charged antiparticle of an electron. In ordinary chemistry, electrons help hold nuclei together; in positronic bonding, positrons can instead help stabilize negatively charged matter. In the predicted system, two positrons play the bonding role across three hydride centres, giving the arrangement its “three-centre, two-positron” description.
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The researchers’ reported bonding density resembles that of Li3+, the trilithium cation. Li3+ is the electronic three-centre, two-electron analogue: its bonding involves two electrons shared across three centres. The comparison describes the bonding pattern, not an identity between the two systems.
Was the molecule made, or is it only theoretical?
It is a computational prediction. The available report describes the species as hypothetical and does not report an experimental observation or synthesized sample. The study therefore supports a proposed bonding arrangement from calculations, not a claim that the molecule has been produced or detected.
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Does the prediction mean the system is stable?
Stability in computational positron chemistry depends on which breakup route is used as the comparison. A calculated system may be stable against one dissociation threshold without that result establishing stability against every possible channel. A 2024 peer-reviewed study on other positron-bonded molecular dianions discusses this threshold-dependent issue and the role of positron–molecule correlations; its results are not calculations of the three-hydride system. Cassidy et al., “Many-body theory calculations of positronic-bonded molecular dianions”, appeared in the Journal of Chemical Physics 160 (2024), 084304.
What about the suggestion of metallic character?
The possibility of metallic character was presented as speculation, not as a measured property or an established conclusion. The central reported result is the computational prediction of the unusual three-centre, two-positron bonding arrangement.
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