Abstract
The neutron diffraction data analysis of deuterated liquid 2-propanol at room temperature to define its molecular conformation is presented. 2-Propanol being a large molecule with twelve atomic sites, the conformation analysis is tricky and an improved method of data analysis is given. The intermolecular structural correlations, i.e., hydrogen-bonded liquid structure, can be modelled accurately to extract the nature of the average hydrogen-bonded molecular association in liquid state at room temperature. Like other alcohols these are mostly hexamer ring chain (HRC) clusters. The cluster analysis of recent X-ray data available in the literature also support the same liquid structure.
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Sahoo, A., Sarkar, S., Krishna, P.S.R. et al. Molecular conformation and liquid structure of 2-propanol through neutron diffraction. Pramana - J Phys 74, 765–779 (2010). https://doi.org/10.1007/s12043-010-0097-5
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DOI: https://doi.org/10.1007/s12043-010-0097-5