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, characterisation and magnetic properties of copper(II) complexes with 3-hydroxypicolinic acid (HpicOH): the crystal structure of [Cu(picOH)2(BPE)]2·[Cu(picOH)2(BPE)2]·8H2O
PI Girginova, FAA Paz, HIS Nogueira, NJO Silva, VS Amaral, J Klinowski, T Trindade
Journal of Molecular Structure
(2005)
737
Synthesis and characterisation of a new vanadyl oxalatophosphate compound: (C10H10N2)[(VO)(HPO4)] 2(C2O4)
F-N Shi, FAA Paz, J Rocha, J Klinowski, T Trindade
Inorganica Chimica Acta
(2005)
358
A lanthanum(III) complex with a lacunary polyoxotungstate: Na2(NH4)7[La(W5O18)2]·16H2O
FAA Paz, MSS Balula, AMV Cavaleiro, J Klinowski, HIS Nogueira
Acta Crystallographica Section E: Crystallographic Communications
(2005)
61
13C and 2DWISE NMR studies of the host mobility in two aromatic complexes of p-tert-butyl-calixarene
F Benevelli, YZ Khimyak, J Klinowski
Journal of Inclusion Phenomena and Macrocyclic Chemistry
(2004)
49
Characterisation and evaluation of hypothetical zeolite frameworks
RG Bell, MD Foster, A Simperler, J Klinowski
Studies in Surface Science and Catalysis
(2004)
154
Magic-angle spinning: a historical perspective
JW Hennel, J Klinowski
Topics in current chemistry
(2004)
246
Novel cerium( iv ) heteropolyoxotungstate containing two types of lacunary Keggin anions
FL Sousa, FA Almeida Paz, AMV Cavaleiro, J Klinowski, HIS Nogueira
Chemical Communications
(2004)
Hydrothermal synthesis and structural characterization of a novel cadmium-organic framework
FAA Paz, J Klinowski
Journal of Solid State Chemistry
(2004)
177
Rhodium(I) and palladium(II) complexes with the Schiff base 2,2'-bis((4S)-4-benzyl-2-oxazoline)
MD Jones, FAA Paz, JE Davies, R Raja, M Duer, J Klinowski, BFG Johnson
Inorganica Chimica Acta
(2004)
357
Photoluminescent layered lanthanide silicates.
D Ananias, M Kostova, FA Almeida Paz, A Ferreira, LD Carlos, J Klinowski, J Rocha
Journal of the American Chemical Society
(2004)
126

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