Representative Publications

a) Chemical crystallography

Challenges in Engineering Spin Crossover: Structures and Magnetic Properties of Six Alcohol Solvates of Iron(II) Tris(2-picolylamine) Dichloride. M. Hostettler, K.W. Törnroos, D. Chernyshov, B. Vangdal, H.B. Bürgi. Angew. Chem. Int. Ed. 43 (2004) 4589-4594,.

Coupling between spin conversion and solvent disorder in spin crossover solids D. Chernyshov, N. Klinduhov, K. W. Törnroos, M. Hostettler, B. Vangdal, H.-B. Bürgi Phys. Rev. B 76 (2007) 014406.

From Crystal Statics to Chemical Dynamics. H.B. Bürgi, J.D. Dunitz. Acc. Chem. Res., 16 (1983) 153-161.

What we can learn about fast chemical processes from slow diffraction experiments. H.B. Bürgi. Faraday Discussion, 122 (2002) 41. 

b) Motion in crystals

Motion and Disorder in Crystal Structure Analysis: Measuring and Distinguishing Them. H.B. Bürgi. Annu. Rev. Phys. Chem. 51 (2000) 275.

Getting More out of Crystal-Structure Analyses. H.B. Bürgi, S. C. Capelli. Helvetica Chimica Acta 86 (2003) 1625-1640.

Specific Heat of Molecular Crystals from Atomic Mean Square Displacements with the Einstein, Debye, and Nernst-Lindemann Models. T. Aree, H.B. Bürgi. J. Phys. Chem. B, 110 (2006) 26129-26134.

Distinction of disorder, classical and quantum vibrational contributions to atomic mean-square amplitudes in dielectric pentachloronitrobenzene. J. M. Cole, H.-B. Bürgi and G. J. McIntyre, Phys. Rev. B 83 (2011) 224202,

c) Disorder and diffuse scattering

Structural and Spectroscopic Characterization of Active Sites in a Family of Light-Emitting Sodium Lanthanide Tetrafluorides. Aebischer, M. Hostettler, J. Hauser, K. Krämer, Th. Weber, H.U. Güdel, H.B. Bürgi. Angew. Chem. Int. Ed., 45 (2006) 2802-2806.

Supramolecular Architecture in a Disordered Perhydrotriphenylene Inclusion Compound from Diffuse X-ray Diffraction Data. H.B. Bürgi, J. Hauser, T. Weber, R.B. Neder. Crystal Growth & Design, 5 (2005) 2073-2083.

Beyond Single Crystal Structure Determination – Interpretation of Diffuse Scattering, H.-B. Bürgi, J. Hauser, V. Lynch, Trans. Am. Cryst. Assoc. (2010). On-line publication: