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: | |
本文献已被 SpringerLink 等数据库收录! |
|