reactivity

Classical computers have managed the calculation for molecules as large as pentacene, a chain of five hydrocarbon rings with 22 electrons in “pi” covalent bonds, which govern the molecule’s shape and reactivity.

In a July 2023 preprint on arXiv, Quantinuum researchers reported using a hybrid setup to explore the chemical reactivity of platinum-based catalysts, which are commonly used in fuel cells to generate electricity by converting hydrogen and oxygen into water.

Prof. Yoshida explains, "We developed a method for synthesizing stable o-bromobenzenethiol equivalents by bromothiolation of aryne intermediates with an appropriate hydrogen sulfide equivalent and an electrophilic brominating reagent, resulting in controlled reactivity at the sulfur atom which prevents subsequent additions with aryne intermediates."

The researchers utilized potassium xanthate instead of hydrogen sulfide, owing to its better reactivity in aryne reactions and pentafluorophenyl bromide as an electrophilic brominating reagent.

"We've transformed the reactivity of iron metal, the cheapest metal commodity," he said.