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Determination of Liquid Structures of the Primary Alcohols Methanol, Ethanol, 1‐Propanol, 1‐Butanol and 1‐Octanol by X‐ray Scattering
Author(s) -
Serimaa R.,
Vahvaselkä K. S.,
Torkkeli M.
Publication year - 1995
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889894010149
Subject(s) - chemistry , hydrogen bond , intermolecular force , molecule , octanol , scattering , crystallography , methanol , phase (matter) , alcohol , reflection (computer programming) , analytical chemistry (journal) , organic chemistry , partition coefficient , optics , physics , computer science , programming language
Four first primary alcohols and 1‐octanol were studied with the wide‐angle X‐ray scattering method using both transmission and reflection techniques at room temperature (293 K). The subsequent radial distribution analysis gives C–O and C–C distances that are in good agreement with the known bond lengths of single alcohol molecules. The shortest averaged C–H and O–H distances are much smaller than those from the gas‐phase data. It is deduced that the shortened distance is caused by the deformed electron distribution between H and C atoms. The intermolecular hydrogen bonding between hydroxyl groups occurs at a distance of 2.8 Å, and is a common feature for all the samples. The corresponding coordination number of 1.7 indicates linear chains of about ten molecules. The absence of sharp features in the intensity curves suggests that the arrangement of chains is irregular and that the length of the chains varies.