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27
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Introduction
Matthew J Lennox currently works at the Department of Chemical Engineering, University of Bath. Matthew does research in Theoretical Chemistry, Organometallic Chemistry and Chemical Engineering.
Current institution
Additional affiliations
October 2014 - August 2016
Position
- Fellow
Description
- Computational evaluation and characterisation of metal-organic framework materials for light gas (CO2 and light hydrocarbons) adsorption applications via density functional theory and classical molecular simulation
July 2010 - September 2014
Publications
Publications (27)
div>MOFs and COFs are porous materials with a large variety of applications including gas
storage and separation. Synthesised in a modular fashion from distinct building blocks, a
near in?nite number of structures can be constructed and the properties of the material can
be tailored for a speci?c application. While this modularity is a very attr...
The separation of CO2/CH4 gas mixtures is a key challenge for the energy sector and is essential for the efficient upgrading of natural gas and biogas. A new emerging field, that of metal–organic framework nanosheets (MONs), has shown the potential to outperform conventional separation methods and bulk metal–organic frameworks (MOFs). In this work,...
Our investigations into molecular hydrogen (H 2) confined in microporous carbons with different pore geometries at 77 K have provided detailed information on effects of pore shape on densification of confined H 2 at pressures up to 15 MPa. We selected three materials: a disordered, phenolic resin-based activated carbon, a graphitic carbon with slit...
The complex [Zn2(tdc)2dabco] (H2tdc = thiophene-2,5-dicarboxylic acid; dabco = 1,4-diazabicyclooctane) shows a remarkable increase in carbon dioxide (CO2) uptake and CO2/dinitrogen (N2) selectivity compared to the nonthiophene analogue [Zn2(bdc)2dabco] (H2bdc = benzene-1,4-dicarboxylic acid; terephthalic acid). CO2 adsorption at 1 bar for [Zn2(tdc)...
Some porous crystalline solids change their structure upon guest inclusion. Unlocking the potential of these solids for a wide variety of applications requires full characterisation of the response to adsorption and the underlying framework-guest interactions. Here, we introduce an approach to understanding gas uptake in porous metal-organic framew...
Pioneered by Lehn, Cram, Peterson and Breslow, supramolecular chemistry concepts have evolved providing fundamental knowledge of the relationships between the structures and reactivities of organized molecules. A particular fascinating class of metallo-supramolecular molecules are hollow coordination cages that provide cavities of molecular dimensi...
Supplementary Figures, Supplementary Table, Supplementary Notes, Supplementary Methods and Supplementary References
Structural coordinates of SK-1A (res-file in which disordered atom positions have been deleted for clarity).
Structure of SK-1A in ball-stick and space-filling representations. Colour code: blue Cu, red O, grey C, darker blue N, white H). A simplified topological representation highlights the endohedral arrangement of archimedean and platonic bodies.
Pioneered by Lehn, Cram, Peterson and Breslow, supramolecular chemistry concepts have evolved providing fundamental knowledge of the relationships between the structures and reactivities of organized molecules. A particular fascinating class of metallo-supramolecular molecules are hollow coordination cages that provide cavities of molecular dimensi...
In recent years, the use of computational tools to aid in the evaluation, understanding and design of advanced porous materials for gas storage and separation processes has become evermore widespread. High-performance computing facilities have become more powerful and more accessible and molecular simulation of gas adsorption has become routine, of...
Significance
A family of stable porous materials incorporating organic linkers and Cu(II) cations is reported. Their pores can be altered systematically by elongation of the ligands allowing a strategy of selective pore extension along one dimension. These materials show remarkable gas adsorption properties with high working capacities for CH 4 (0....
Density functional theory is employed to explore the binding of carbon dioxide and methane in a series of isoreticular metal-organic frameworks, with particular emphasis on understanding the impact of directly incorporated nitrogen and oxygen heteroatoms on the affinity of the ligand for CO2 and CH4. While the strongest binding sites for both CO2 a...
An amide-functionalised metal organic frame-work (MOF) material, MFM-136, shows a high CO2 uptake of 12.6 mmol g-1 at 20 bar and 298 K. MFM-136 is the first example of acylamide pyrimidyl isophthalate MOF without open metal sites, and thus provides a unique platform to study guest bind-ing, particularly the role of free amides. Neutron diffraction...
An amide-functionalized metal organic framework (MOF) material, MFM-136, shows a high CO2 uptake of 12.6 mmol g⁻¹ at 20 bar and 298 K. MFM-136 is the first example of an acylamide pyrimidyl isophthalate MOF without open metal sites and, thus, provides a unique platform to study guest binding, particularly the role of free amides. Neutron diffractio...
Xylene isomers are precursors in many important chemical processes, yet their separation via crystallization or distillation is energy intensive. Adsorption presents an attractive, lower-energy alternative and the discovery of adsorbents which outperform the current state-of-the-art zeolitic materials represents one of the key challenges in materia...
The synthesis and structure of a new, highly augmented (Cu2)-"paddlewheel"-based metal-organic framework (MOF) that is stabilized by tritopic benzoate ligands is reported. The structure adopts an uncommon, less symmetrical, (3,4)-connected net topology and represents a rare framework isomer of the extensively studied (Cu2)-based pto and tbo analogu...
In recent years, metal-organic frameworks (MOFs) have been identified as promising
adsorbents in a number of industrially relevant, yet challenging, separations,
including the removal of propane from propane/propylene mixtures and the
separation of mixtures of xylene isomers. The highly tuneable nature of MOFs -
wherein structures may be constructe...
Two Co2+ metal-organic framework materials, constructed from a combination of 1,4-benzenedicarboxylate (BDC) and either 2,2′-dipyridyl-N-oxide (DPNO) or 2,2′-dipyridyl-N,N′-dioxide (DPNDO), are synthesized under solvothermal reaction conditions, and their structures solved by single crystal X-ray diffraction. Both have three-dimensional structures...
A solid-state approach that takes advantage of the ordered 3D arrangement of active secondary building units allows the preparation of new interlocked MOFs that grow hetero-epitaxially on the crystal faces of a precursor phase that acts as a "topological blueprint". The synthetic strategy is exemplified by using rigid acetylene-based ligands to pro...
The syntheses, calculated surface areas and N2 uptakes of two highly augmented {Cu}2 'paddlewheel'-based MOFs provide a direct comparison of and framework polymorphs with identical composition.
Para-disubstituted alkylaromatics such as p-xylene are preferentially adsorbed from an isomer mixture on three isostructural metal-organic frameworks: MIL-125(Ti) ([Ti(8)O(8)(OH)(4)(BDC)(6)]), MIL-125(Ti)-NH(2) ([Ti(8)O(8)(OH)(4)(BDC-NH(2))(6)]), and CAU-1(Al)-NH(2) ([Al(8)(OH)(4)(OCH(3))(8)(BDC-NH(2))(6)]) (BDC = 1,4-benzenedicarboxylate). Their u...
