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Molecular hydrogen occurs in two isomeric forms, one with its two proton nuclear spins aligned parallel , the other with its two proton spins aligned antiparallel. These two forms are often referred to as spin isomers or as nuclear spin isomers.

Parahydrogen is in a lower energy state than is orthohydrogen. At room temperature and thermal equilibrium, thermal excitation causes hydrogen to consist of approximately 75% orthohydrogen and 25% parahydrogen. When hydrogen is liquified at low temperature, there is a slow spontaneous transition to a predominantly para ratio, with the released energy having implications for storage. Essentially pure parahydrogen form can be obtained at very low temperatures, but it is not possible to obtain a sample containing more than 75% orthohydrogen by heating.

A mixture or 50:50 mixture of ortho- and parahydrogen can be made in the laboratory by passing it over an iron oxide catalyst at liquid nitrogen temperature or by storing hydrogen at 77 K for 2–3 hours in the presence of activated charcoal. In the absence of a catalyst, gas phase parahydrogen takes days to relax to normal hydrogen at room temperature while it takes hours to do so in organic solvents.

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