caa a22 4500 378924877 CHVBK 20180305123614.0 cr unu---uuuuu 161128e20040601xx s 000 0 eng 10.1524/zpch.218.6.659.33452 doi (NATIONALLICENCE)gruyter-10.1524/zpch.218.6.659.33452 The Liquid Structure of Various Nitriles and N,N-Dimethylformamide Studied by the X-Ray Diffraction Method Using a CCD Detector [Elektronische Daten] [Misaki Katayama, Kohei Komori, Kazuhiko Ozutsumi, Hitoshi Ohtaki] The liquid structure of acetonitrile (AN), propionitrile (PN), acrylonitrile (ACN), and benzonitrile (BN) was investigated by the transmission mode X-ray diffraction method with a newly developed CCD detector at room temperature and one atmospheric pressure. The nitriles were shielded in a thin wall glass tube. The reduced intensities, si(s), extracted from the measured intensities were compared with those obtained by the X-ray diffraction measurements with the θ-θ type reflection mode for benzonitrile and N,N-dimethylformamide (DMF) as the reference. In all the nitriles it was found that molecules are arrayed in the zigzag form as found in previous studies for AN. The non-bonding N···C (nitrile carbon) distance between the anti-parallel adjacent molecules was 340pm for all nitriles. The intermolecular C···C distance between next neighbour molecules was 420pm for CH2···CH2 in AN, 430pm for CH3···CH3 in PN, 425pm for CH···CH in ACN, and 390pm for C6H5···C6H5 in BN. The short C6H5···C6H5 distance was explained in terms of the π-π stacking interactions of the aromatic rings. DMF molecules interact each other through dipole-dipole interactions, and the O···C distance of 320pm at the O···H-CO- interaction through the formyl proton may partly contribute to the intermolecular interactions. The distance between parallel DMF molecules in a plane was estimated to be 743pm. The diffraction data were well explained in terms of a weak layered structure of DMF, and the layers were separated by about 365pm. © 2004 Oldenbourg Wissenschaftsverlag GmbH Thermodynamics & statistical physics nationallicence Laboratory techniques, experiments nationallicence Physical chemistry nationallicence Katayama Misaki aut Komori Kohei aut Ozutsumi Kazuhiko aut Ohtaki Hitoshi aut Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics Oldenbourg Wissenschaftsverlag GmbH 218/6/2004(2004-06-01), 659-677 0942-9352 218:6/2004<659 2004 218 zpch https://doi.org/10.1524/zpch.218.6.659.33452 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zpch.218.6.659.33452 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Katayama Misaki aut NATIONALLICENCE 700 1- Komori Kohei aut NATIONALLICENCE 700 1- Ozutsumi Kazuhiko aut NATIONALLICENCE 700 1- Ohtaki Hitoshi aut NATIONALLICENCE 773 0- Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics Oldenbourg Wissenschaftsverlag GmbH 218/6/2004(2004-06-01), 659-677 0942-9352 218:6/2004<659 2004 218 zpch CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter