Unveiling the atomistic and electronic structure of Ni<sup>II</sup>–NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling-Reference-Cited by-同舟云学术

Unveiling the atomistic and electronic structure of Ni^II–NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling

Published:2023 Issue:23 Volume:25 Page:15702-15714
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Thangavel Kavipriya¹²^ORCID,Bruzzese Paolo Cleto¹³^ORCID,Mendt Matthias¹,Folli Andrea²^ORCID,Knippen Katharina⁴,Volkmer Dirk⁴^ORCID,Murphy Damien M.²^ORCID,Pöppl Andreas¹^ORCID

Affiliation:

1. Felix Bloch Institute for Solid State Physics, Leipzig University, Linnéstraße 5, 04103 Leipzig, Germany

2. School of Chemistry, Main building, Cardiff University, CF10 3AT, Cardiff, UK

3. Department of Chemistry and NIS Centre of Excellence, University of Turin, via Giuria 9, 10125 Torino, Italy

4. Institute of Physics, Chair of Solid State and Materials Chemistry, University of Augsburg, Universitätstraße 1, D-86159 Augsburg, Germany

Abstract

The nature of the chemical bonding between NO and open-shell NiIIions docked in a metal–organic framework is fully characterized by EPR spectroscopy and computational methods.

Funder

Gauss Centre for Supercomputing

Deutsche Forschungsgemeinschaft

H2020 Marie Skłodowska-Curie Actions

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01449E

Reference99 articles.

1. EPR Characterization and Reactivity of Surface-Localized Inorganic Radicals and Radical Ions

2. Infrared Spectra and Density Functional Theory Calculations on Transition Metal Nitrosyls. Vibrational Frequencies of Unsaturated Transition Metal Nitrosyls

3. Identification of Neutral and Charged NxOySurface Species by IR Spectroscopy

4. EPR Investigation of the Electronic Structure of Mononuclear Copper(I) Nitric Oxide Adduct Formed upon Low-Pressure Adsorption of NO onto Cu/ZSM-5 Zeolite

5. Cu(I)-ZSM-5 zeolites prepared by reaction of H-ZSM-5 with gaseous CuCl: Spectroscopic characterization and reactivity towards carbon monoxide and nitric oxide

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Synthesis, spectroscopic study and carbofuran adsorption of mixed metal (Co, Cu)@Ca-BTC frameworks aimed at wastewater cleaning;Journal of Industrial and Engineering Chemistry;2024-11

2. Unique Hexanuclear Mixed Bimetallic Mn^III₂Ni^II₄ Complex Possessing Both Jahn–Teller Tetragonally Elongated and Compressed Mn^III Ions: Spin Frustration;Crystal Growth & Design;2024-04-09