Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal–Organic Frameworks

2013 ◽  
Vol 135 (19) ◽  
pp. 7172-7180 ◽  
Author(s):  
Nicholas C. Burtch ◽  
Himanshu Jasuja ◽  
David Dubbeldam ◽  
Krista S. Walton
Keyword(s):  
Molecular Level ◽  
Metal Organic Frameworks ◽  
Low Pressure ◽  
Metal Organic ◽  
Insight Into

scholarly journals An experimental and computational study of CO2adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal–organic frameworks featuring open metal sites

2018 ◽  
Vol 9 (20) ◽  
pp. 4579-4588 ◽  
Author(s):  
Mehrdad Asgari ◽  
Sudi Jawahery ◽  
Eric D. Bloch ◽  
Matthew R. Hudson ◽  
Roxana Flacau ◽  
...  
Keyword(s):  
Molecular Level ◽  
Computational Study ◽  
Metal Organic Frameworks ◽  
Adsorption Properties ◽  
Open Metal Sites ◽  
Metal Organic ◽  
Insight Into

The work provides molecular level insight into the CO2adsorption properties of an isostructural series of MOFs, known as M-BTT.

Combined experimental and theoretical insight into the drug delivery of nanoporous metal–organic frameworks

RSC Advances ◽  
2015 ◽  
Vol 5 (104) ◽  
pp. 85606-85612 ◽  
Author(s):  
Jiaping Wang ◽  
Juncheng Jin ◽  
Fumei Li ◽  
Baohong Li ◽  
Jianqiang Liu ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Molecular Level ◽  
Load Capacity ◽  
Metal Organic Frameworks ◽  
Void Space ◽  
Drug Load ◽  
Nanoporous Metal ◽  
Metal Organic ◽  
Theoretical Insight ◽  
Insight Into

The comparison between calculated drug load values and some molecular level properties indicates the existence of a relationship between the void space of material and drug load capacity.

Quantum Mechanical Interpretation of the Ultra-Low Energy Methyl-Rotation Dynamics in Porous Metal-Organic Frameworks Probed by Low-Frequency Vibrational Spectroscopy and ab initio Simulations

2018 ◽  
Author(s):  
Qi Li ◽  
Adam J. Zaczek ◽  
Timothy M. Korter ◽  
J. Axel Zeitler ◽  
Michael T. Ruggiero
Keyword(s):  
Ab Initio ◽  
Metal Organic Frameworks ◽  
Low Frequency ◽  
Rotor Dynamics ◽  
Quantum Mechanical ◽  
Valuable Insight ◽  
Void Space ◽  
Ab Initio Simulations ◽  
Metal Organic ◽  
Insight Into

<div>Understanding the nature of the interatomic interactions present within the pores of metal-organic frameworks</div><div>is critical in order to design and utilize advanced materials</div><div>with desirable applications. In ZIF-8 and its cobalt analogue</div><div>ZIF-67, the imidazolate methyl-groups, which point directly</div><div>into the void space, have been shown to freely rotate - even</div><div>down to cryogenic temperatures. Using a combination of ex-</div><div>perimental terahertz time-domain spectroscopy, low-frequency</div><div>Raman spectroscopy, and state-of-the-art ab initio simulations,</div><div>the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully charac-</div><div>terized within the context of a quantum-mechanical hindered-</div><div>rotor model. The results lend insight into the fundamental</div><div>origins of the experimentally observed methyl-rotor dynamics,</div><div>and provide valuable insight into the nature of the weak inter-</div><div>actions present within this important class of materials.</div>

Insight into the Unique Fluorescence Quenching Property of Metal-Organic Frameworks upon DNA Binding

2017 ◽  
Vol 89 (21) ◽  
pp. 11366-11371 ◽  
Author(s):  
Huai-Song Wang ◽  
Hai-Ling Liu ◽  
Kang Wang ◽  
Ya Ding ◽  
Jing-Juan Xu ◽  
...  
Keyword(s):  
Dna Binding ◽  
Fluorescence Quenching ◽  
Metal Organic Frameworks ◽  
Metal Organic ◽  
Insight Into

scholarly journals Synthetic investigation of competing magnetic interactions in 2D metal–chloranilate radical frameworks

2020 ◽  
Vol 11 (23) ◽  
pp. 5922-5928 ◽  
Author(s):  
Kelsey A. Collins ◽  
Richard J. Saballos ◽  
Majed S. Fataftah ◽  
Danilo Puggioni ◽  
James M. Rondinelli ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Magnetic Interactions ◽  
Spin Physics ◽  
Metal Organic ◽  
Synthetic Investigation ◽  
Insight Into

2D metal–organic frameworks provide insight into kagomé spin physics.

Molecular-Level Insights into Selective Transport of Mg2+ in Metal–Organic Frameworks

2021 ◽  
Author(s):  
Yang Wang ◽  
Tongtong Luo ◽  
Yang Li ◽  
Ailun Wang ◽  
Dunwei Wang ◽  
...  
Keyword(s):  
Molecular Level ◽  
Metal Organic Frameworks ◽  
Selective Transport ◽  
Metal Organic
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