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Molecular conformation and liquid structure of 2-propanol through neutron diffraction
Authors:A Sahoo  S Sarkar  P S R Krishna and R N Joarder
Institution:1.Department of Physics,Jadavpur University,Kolkata,India;2.Solid State Physics Division,Bhabha Atomic Research Centre,Mumbai,India
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.
Keywords:
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