Dynamics of Bound States of Dihydrogen at Cu(I) and Cu(II) Species Coordinated near One and Two Zeolite Framework Aluminium Atoms: A Combined Sorption, INS, IR and DFT Study

22 January 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


The reactivity towards dihydrogen of various copper species, in different coordination environments, decorated by the presence of one and two Al atoms in the framework oz zeolite ZSM-5 are investigated by sorption, INS, FTIR and DFT modeling studies.


copper-dihydrogen complex
hydrogen storage
dihydrogen activation
neutron scattering
DFT modelling


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