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Department of Chemistry

Portrait of jk18

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)


A new supramolecular organic-inorganic adduct: {[Eu(CH3OH) (H2O)8]2[Eu(H2O)8] [PW12O40]3}·8(C14H 20O5)·2(C28H40O 10)·6(CH3OH)·6(H2O)
PCR Soares-Santos, L Cunha-Silva, FL Sousa, JLC Sousa, PJ Gates, J Klinowski, T Trindade, J Rocha, AMV Cavaleiro, FAA Paz, HIS Nogueira
– Journal of Molecular Structure
Chemistry and Catalytic Activity of Molybdenum(VI)-Pyrazolylpyridine Complexes in Olefin Epoxidation. Crystal Structures of Monomeric Dioxo, Dioxo-μ-oxo, and Oxodiperoxo Derivatives
AC Coelho, M Nolasco, SS Balula, MM Antunes, CCL Pereira, FA Almeida Paz, AA Valente, M Pillinger, P Ribeiro-Claro, J Klinowski, IS Gonçalves
– Inorganic Chemistry
Low-temperature thermal decomposition of crystalline partly and completely deuterated ammonium perchlorate
D Majda, A Korobov, U Filek, B Sulikowski, P Midgley, DA Nicol, J Klinowski
– Chemical Physics Letters
Microwave-assisted synthesis of metal-organic frameworks
J Klinowski, FAA Paz, P Silva, J Rocha
– Dalton Trans
Crystal and supramolecular structures of dioxomolybdenum(VI) and dioxotungsten(VI) complexes of dihydroxybenzoic acids
B Monteiro, L Cunha-Silva, S Gago, J Klinowski, FAA Paz, J Rocha, IS Goncalves, M Pillinger
– Polyhedron
Amino acid-functionalized cyclopentadienyl molybdenum tricarbonyl complex and its use in catalytic olefin epoxidation
M Abrantes, FAA Paz, AA Valente, CCL Pereira, S Gago, AE Rodrigues, J Klinowski, M Pillinger, IS Goncalves
– Journal of Organometallic Chemistry
Supramolecular salts containing the anionic [Ge(C2O4)3]2- complex and heteroaromatic amines
L Cunha-Silva, FN Shi, FAA Paz, MJ Hardie, J Klinowski, T Trindade, J Rocha
– Inorganica Chimica Acta
Oxidation of volatile organic compounds on SBA-15 mesoporous molecular sieves modified with manganese.
A Orlov, J Klinowski
– Chemosphere
Catalytic homogeneous oxyfunctionalization with hydrogen peroxide in the presence of a peroxotungstate
ICMS Santos, FAA Paz, MMQ Simoes, MGPMS Neves, JAS Cavaleiro, J Klinowski, AMV Cavaleiro
– Applied Catalysis A General
Two novel supramolecular organic-inorganic adducts containing dibenzo-30-crown-10 and H3PM12O40 (M = W or Mo)
PCR Soares-Santos, L Cunha-Silva, FL Sousa, L Mafra, J Rocha, AMV Cavaleiro, T Trindade, FAA Paz, J Klinowski, HIS Nogueira
– Journal of Molecular Structure
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