Neutron diffraction

Neutron diffraction represents the best experimental method to obtain accurate and precise atomic coordinates and displacement parameters for hydrogen atoms. This is particularly important for charge density studies and for temperature-dependent diffraction experiments which focus on H atom mobility or phase transitions connected with H atom ordering.

Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170 K.
K.-N. Truong, M. Meven, U. Englert; Acta Crystallogr. 2018, C74, 1635-1640.

Phase transition and proton ordering at 50 K in 3-(pyridin-4-yl)pentane-2,4-dione.
K.-N. Truong, C. Merkens, M. Meven, B. Fassbänder, R. Dronskowski, U. Englert; Acta Crystallogr. 2017, B73, 1172-1178.

The Whole Range of Hydrogen Bonds in One Crystal Structure: Neutron Diffraction and Charge Density Studies of N,N-Dimethylbiguanidinium-Bis(hydrogensquarate).
M. Serb, R. Wang, M. Meven, U. Englert; Acta Crystallogr. 2011, B67, 552-559.

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Ulli(2020-01-02, 2020-01-02)