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

Lanthanide compounds containing a benzo-15-crown-5 derivatised [60]fullerene and the related [Tb(H2O)(3)(NO3)(2)(acac)]. C14H20O5 supramolecular adduct
PCR Soares-Santos, T Trindade, AC Tomé, J Rocha, RAS Ferreira, LD Carlos, FAA Paz, J Klinowski, HIS Nogueira
New J. Chem.
(2004)
28
In situ FTIR study of the thermal treatment on boron containing mesoporous molecular sieve MCM-41
C Zhang, Y-L Wang, Z-E Xie, N Guan, S Liu, Z Luan, J Klinowski
Studies in Surface Science and Catalysis
(2004)
154 B
Hypothetical Uninodal Zeolite Structures:  Comparison of AlPO4 and SiO2 Compositions Using Computer Simulation
A Simperler, MD Foster, RG Bell, J Klinowski
The Journal of Physical Chemistry B
(2003)
108
SOLID-STATE NMR SPECTROSCOPIC AND X-RAY-DIFFRACTION STUDIES OF THE LOW-TEMPERATURE STRUCTURAL TRANSFORMATION OF HYDRATED POROUS ALUMINOPHOSPHATE VPI-5
J Rocha, W Kolodziejski, I Gameson, J Klinowski
Angewandte Chemie International Edition
(2003)
31
Solid‐State NMR Studies of the Structure and Reactivity of Metakaolinite
J Rocha, J Klinowski
Angewandte Chemie International Edition
(2003)
29
Magic‐Angle‐Spinning NMR (MAS‐NMR) Spectroscopy and the Structure of Zeolites
CA Fyfe, JM Thomas, J Klinowski, GC Gobbi
Angewandte Chemie International Edition
(2003)
22
Probing the Structure and Crystallinity of a Lithium Silicate Glass by 29Si Magic‐Angle‐Spinning NMR Spectroscopy
CNR Rao, JM Thomas, J Klinowski, U Selvaraj, KJ Rao, GR Millward, S Ramdas
Angewandte Chemie International Edition in English
(2003)
24
PROBING THE ENVIRONMENT OF AL ATOMS IN NONCRYSTALLINE SOLIDS - AL2O3-SIO2 GELS, SODA GLASS, AND MULLITE PRECURSORS
JM Thomas, J Klinowski, PA Wright, R Roy
Angewandte Chemie International Edition
(2003)
22
A novel supramolecular organic-inorganic adduct containing alpha-Keggin-type [PW12O40](3-) anions and benzo-15-crown-5 molecules
FAA Paz, FL Sousa, PCR Soares-Santos, AMV Cavaleiro, HIS Nogueira, J Klinowski, T Trindade
Acta Crystallographica Section E: Crystallographic Communications
(2003)
60
Aerosol-assisted metallo-organic chemical vapour deposition of Bi2Se3 films using single-molecule precursors. The crystal structure of bismuth(iii) dibutyldiselenocarbamate
OC Monteiro, T Trindade, FAA Paz, J Klinowski, J Waters, P O'Brien
Journal of Materials Chemistry
(2003)
13

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