Unraveling the origin of the cooperative adsorption of carbon monoxide in an Fe(<scp>ii</scp>) metal–organic framework-Reference-Cited by-同舟云学术

Unraveling the origin of the cooperative adsorption of carbon monoxide in an Fe(ii) metal–organic framework

Published:2023 Issue:68 Volume:59 Page:10315-10318
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Jose Reshma¹,Pal Sourav²^ORCID,Rajaraman Gopalan¹^ORCID

Affiliation:

1. Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, 400076, India

2. Department of Chemistry, Ashoka University, Sonipat, Haryana, 131029, India

Abstract

Using periodic DFT calculations, we unveil the mechanism of cooperative CO adsorption in an Fe(ii) bistriazolate MOF, where both structural distortion and electronic effects are found to play an active role.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CC/D3CC01185B

Reference16 articles.

1. Bistable Spin-Crossover Nanoparticles Showing Magnetic Thermal Hysteresis near Room Temperature

2. Heterobimetallic MOFs Containing Tetrathiocyanometallate Building Blocks: Pressure-Induced Spin Crossover in the Porous {FeII(pz)[PdII(SCN)4]} 3D Coordination Polymer

3. Switching of spin-state complexes induced by the interaction of a laser beam with their host matrix

4. Spin Crossover Nanomaterials: From Fundamental Concepts to Devices

5. Iron Spin-Crossover compounds: from fundamental studies to practical applications

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