Assessment of Adsorbate π-Backbonding in Copper(I) Metal–Organic Frameworks via Multinuclear NMR Spectroscopy and Density Functional Theory Calculations-Reference-Cited by-同舟云学术

Assessment of Adsorbate π-Backbonding in Copper(I) Metal–Organic Frameworks via Multinuclear NMR Spectroscopy and Density Functional Theory Calculations

Published:2023-04-10 Issue:15 Volume:127 Page:7513-7519
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Funke Lena M.¹²^ORCID,Chakraborty Romit¹³,Carsch Kurtis M.¹^ORCID,Head-Gordon Martin¹⁴^ORCID,Long Jeffrey R.¹²³^ORCID,Reimer Jeffrey A.²³

Affiliation:

1. Department of Chemistry, University of California Berkeley, Berkeley, California 94720, United States

2. Department of Chemical and Biomolecular Engineering, University of California Berkeley, Berkeley, California 94720, United States

3. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8099, United States

4. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-8099, United States

Funder

Arnold and Mabel Beckman Foundation

Office of Energy Efficiency and Renewable Energy

Office of Science

Alexander von Humboldt-Stiftung

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c00462

Reference23 articles.

1. Selective gas adsorption and separation in metal–organic frameworks

2. Scorpionate-Type Coordination in MFU-4lMetal-Organic Frameworks: Small-Molecule Binding and Activation upon the Thermally Activated Formation of Open Metal Sites

3. Reversible Metalation and Catalysis with a Scorpionate-like Metallo-ligand in a Metal–Organic Framework

4. Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals

5. Variational Forward–Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties

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