Molecular conformation and structural correlations of liquid D-1-propanol through neutron diffraction |
| |
Authors: | A Sahoo S Sarkar P S R Krishna V Bhagat R N Joarder |
| |
Institution: | (1) Department of Physics, Jadavpur University, Kolkata, 700 032, India;(2) Department of Physics, Techno India, Kolkata, 700 091, India;(3) Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai, 400 085, India |
| |
Abstract: | An analysis of neutron diffraction data of liquid deuterated 1-propanol at room temperature to extract its molecular conformation
is presented. Being a big molecule with twelve atomic sites, the analysis is tricky and needs careful consideration. The resulting
molecular parameters are compared with electron diffraction (gas phase), X-ray diffraction (liquid phase) and MD simulation
results. Information about the hydrogen-bonded intermolecular structure in liquid is extracted and nature of the probable
molecular association suggested.
|
| |
Keywords: | Molecular conformation structure correlations neutron diffraction |
本文献已被 SpringerLink 等数据库收录! |
|