Abstract.
Neutron-diffraction (ND) measurements are carried out on a high-Q diffractometer for liquid D-tert-butanol at room temperature (RT) and the data are analyzed successfully. The molecular structure of the t-butanol molecule is obtained by using an iterative method by making the radial distribution function zero at the core region. Analysis of available X-ray-diffraction data tells us about the dominant presence of a hexamer closed-chain (ring) cluster in liquid t-butanol at RT, similar to liquid methanol and ethanol at RT. We now find that this average intermolecular structure having H-bonding also reproduces very well the ND data and helps us to obtain intermolecular atom–atom partial pair distribution functions that are well comparable with empirical potential structure refinement model results.
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Received: 23 September 2001 / Accepted: 13 November 2001
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Nath, P., Sarkar, S., Krishna, P. et al. Intermolecular structure of liquid D-tert-butanol by neutron-diffraction data . Appl Phys A 74 (Suppl 1), s348–s351 (2002). https://doi.org/10.1007/s003390201546
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DOI: https://doi.org/10.1007/s003390201546