Adsorption of Olefins at Cupric Ions in Metal-Organic Framework HKUST-1 Explored by Hyperfine Spectroscopy

Anastasia Kultaeva; Winfried Böhlmann; Martin Hartmann; Timur Biktagirov; Andreas Pöppl

doi:10.1021/acs.jpclett.9b02952

Adsorption of Olefins at Cupric Ions in Metal-Organic Framework HKUST-1 Explored by Hyperfine Spectroscopy

J Phys Chem Lett. 2019 Dec 19;10(24):7657-7664. doi: 10.1021/acs.jpclett.9b02952. Epub 2019 Dec 2.

Authors

Anastasia Kultaeva¹, Winfried Böhlmann¹, Martin Hartmann², Timur Biktagirov³, Andreas Pöppl¹

Affiliations

¹ Faculty of Physics and Earth Science, Felix Bloch Institute for Solid State Physics , Leipzig University , Linnestrasse 5 , D-04103 Leipzig , Germany.
² Erlangen Catalysis Resource Center (ECRC) , Friedrich-Alexander-Universität Erlangen-Nürnberg , Egerlandstr. 3 , D-91058 Erlangen , Germany.
³ Physics Department , Paderborn University , D-33098 Paderborn , Germany.

PMID: 31743033
DOI: 10.1021/acs.jpclett.9b02952

Abstract

Metal-organic frameworks (MOFs) represent a promising platform for gas storage and separation. In this work, adsorption of olefins in Zn-doped HKUST-1 metal-organic framework is explored with hyperfine spectroscopy. By means of electron-nuclear double resonance and hyperfine sublevel correlation spectroscopy, we detect the interaction between the electron spins of the Cu²⁺ sites of the MOF and the ¹H nuclear spins of adsorbed C₂H₄ and C₄H₈. Further analysis of the measured spectra allows us to precisely locate the protons in the vicinity of the Cu²⁺ ions and thereby establish ensemble-averaged structural models of the olefin molecules adsorbed at the open metal sites of HKUST-1.