In collaboration with the Long group (University of California, Berkeley), Gagliardi group members have recently published a paper “Negative cooperativity upon hydrogen bond-stabilized O2adsorption in a redox-active metal–organic framework” in Nature Communications.
Jenny Vitillo, Ph.D., at the time of the research a post-doctoral associate in the group and now an assistant professor at the University of Insubria, Italy, and Varinia Bernales, Ph.D., at the time of the research a post-doctoral associate in the group and now a scientist at Dow Chemical, performed periodic density functional and wave function-based calculations to identify the different factors responsible for the complex mechanism of O2 adsorption in Co(OH)2(BBTA). The study was funded by the Nanoporous Materials Genome Center.