Our main interest is in the relationship between the structure and properties of solids. We study the geometric reasons for the chemical activity of solids and the relationship between local order and physical properties, using mathematical techniques and computer graphics. We use solid-state nuclear magnetic resonance spectroscopy (NMR) to examine molecular sieves, minerals, layered materials, fullerenes, ceramics and biological materials.

The G minimal surface divides space into two interpenetrating labyrinths (coloured red and green).

Specific projects:

  • Periodic minimal surfaces (surfaces with zero mean curvature), which appear in a variety of inorganic, organic and biological structures, and the associated mathematical problems.
  • Morphogenesis (the origin of shape and form).
  • Systematic enumeration of crystalline networks using mathematical tiling theory.
  • Graphite, graphite oxide and graphene.
  • Synthesis and characterization of microporous and mesoporous molecular sieves.
  • Synthesis and characterization of metal-organic frameworks (MOFs).

Selected Publications

Hypothetical zeolitic frameworks: In search of potential heterogeneous catalysts. J. Phys. Chem. 112, 1040 (2008)

Low-temperature thermal decomposition of large single crystals of ammonium perchlorate. Chem. Phys. Lett. 454, 233 (2008)

Simulating self-assembly of ZnS nanoparticles into mesoporous materials. J. Am. Chem. Soc. 128, 15283 (2006)

Cross-polarization in the solid state. A guide for chemists. Chem. Rev. 102, 613 (2002)

Synthesis and characterization of a new layered compound of trimesic acid. New Journal of Chemistry 26, 381 (2002)

Exact computation of the triply periodic G ('gyroid") minimal surface. Chem. Phys. Lett. 321, 363 (2000)

Systematic enumeration of crystalline networks. Nature 400, 644 (1999)

Structural studies of tabasheer, an opal of plant origin. Phil. Mag. A 77, 201 (1998)

Structure of graphite oxide revisited. J. Phys. Chem. B102, 4477 (1998)

Solid-state NMR studies of fullerene C60/benzene solvates. J. Phys. Chem. B101, 117 (1997)

New rapidly convergent series representations for z (2 n + 1). Proc. Am. Math. Soc. 125, 1263 (1997)

Directing the pore dimensions in the mesoporous molecular sieve MCM-41. Chem. Phys. Lett. 263, 247 (1996)

Taboo Search: an approach to the multiple-minima problem. Science, 267, 664 (1995)

Publications

Synthesis and catalytic properties in olefin epoxidation of dioxomolybdenurn(VI) complexes bearing a bidentate or tetradentate salen-type ligand
SM Bruno, SS Balula, AA Valente, FAA Paz, M Pillinger, C Sousa, J Klinowski, C Freire, P Ribeiro-Claro, IS Gonçalves
Molecular Catalysis
(2007)
270
Decaaquadioxobis[μ3-N-(phosphonomethyl)iminodiacetato]dimanganesedivanadium dihydrate
L Cunha-Silva, F-N Shi, J Klinowski, T Trindade, J Rocha, FAA Paz
Acta Crystallographica Section E Structure Reports Online
(2007)
63
Microwave Assisted Synthesis of Molybdenum and Tungsten Tetracarbonyl Complexes with a Pyrazolylpyridine Ligand. Crystal structure of cis-[Mo(CO)4{ethyl[3-(2-pyridyl)-1-pyrazolyl]acetate}]
AC Coelho, FA Almeida Paz, J Klinowski, M Pillinger, IS Gonçalves
Molecules (Basel, Switzerland)
(2006)
11
Crystal Structure, Solid‐State NMR Spectroscopic and Photoluminescence Studies of Organic‐Inorganic Hybrid Materials (HL)6[Ge6(OH)6(hedp)6]·2(L)·nH2O, L = hqn or phen
L Mafra, FAA Paz, F Shi, RAS Ferreira, LD Carlos, T Trindade, C Fernandez, J Klinowski, J Rocha
European Journal of Inorganic Chemistry
(2006)
2006
Simulating self-assembly of ZnS nanoparticles into mesoporous materials.
DC Sayle, BC Mangili, J Klinowski, TXT Sayle
J Am Chem Soc
(2006)
128
Structural Studies of [CpMoL2(CO)2]+ (L = NCMe, L2 = 2,2′‐biimidazole) Complexes and Their Inclusion Compounds with Cyclodextrins
CCL Pereira, SS Braga, FAA Paz, M Pillinger, J Klinowski, IS Gonçalves
European Journal of Inorganic Chemistry
(2006)
2006
Building supramolecular tapes
E Batchelor, J Klinowski, W Jones
Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals
(2006)
356
Coordination modes of pyridine-carboxylic acid derivatives in samarium (III) complexes
PCR Soares-Santos, FAA Paz, RAS Ferreira, J Klinowski, LD Carlos, T Trindade, HIS Nogueira
Polyhedron
(2006)
25
In-situ studies of the hydrothermal synthesis of zeolites using synchrotron energy-dispersive X-ray diffraction
J Munn, P Barnes, D Häusermann, SA Axon, J Klinowski
Phase Transitions
(2006)
39
Synthesis and Structure of a Sodium Complex of an Aromatic β-Diketone and Pyrazolylpyridine
AC Coelho, FAA Paz, J Klinowski, M Pillinger, IS Gonçalves
Molecules (Basel, Switzerland)
(2006)
11

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