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X-ray Analysis of Intermolecular Interactions in Liquid 2-chloronaphthalene at 353 K

100%
Drozdowski H.
Acta Physica Polonica A
|
2003
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vol. 104
|
issue 5
441-458
EN
The aim of the study was to examine the structure of liquid 2-chloronaphthalene C_{10}H_7-Cl at 353 K by the X-ray diffraction method. Monochromatic radiation Mo K_α,λ= 0.71069Å was used to determine the scattered radiation intensity between S_{min}=4πsinθ_{min}/λ=0.430Å^{-1} and S_{max}= 4π sinθ_{max}/λ=14.311Å^{-1}. The curves of reduced intensity were analysed by the reduction method of Blum and Narten. Experimental distribution of X-ray scattered intensity was compared with theoretical results predicted for a proposed model of 2-chloronaphthalene molecule. The differential radial distribution function 4π r^2Σ_{j,k}^n K_j[ρ_k(r)-ρ_0] was calculated and some intra- and intermolecular distances in liquid 2-chloronaphthalene were determined. X-ray structural analysis was applied to determine the packing coefficient of 2-chloronaphthalene molecules at 353 K. The intermolecular distance Cl ··· Cl' was also determined as 7.90±0.15Å. A simple model of short-range arrangement of the molecules was proposed, which seems to be valid for other weakly polar monosubstituted naphthalene derivatives in the liquid phase.
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X-ray Analysis of Liquid 1-Methylnaphthalene Structure at 293 K

100%
Drozdowski H.
Acta Physica Polonica A
|
2000
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vol. 98
|
issue 6
691-703
EN
The paper reports results of the X-ray diffraction structural studies of liquid 1-methylnaphthalene, C_{10}H_{7}-CH_{3} at 293 K, using Mo K_{α} radiation of the wavelength λ=0.71069 A. The interpretation of the results was carried out using the reduction method of Blum and Narten. Experimental distribution of X-ray scattered intensity was compared with theoretical results predicted for a proposed model of 1-methylnaphthalene molecule. The electron-density radial-distribution function was calculated and some intra- and intermolecular distances in liquid 1-methylnaphthalene were determined. The structural data obtainable by X-ray analysis for liquid 1-methylnaphthalene are discussed. X-ray structural analysis was applied to determine the packing coefficient of 1-methylnaphthalene molecules. The electron-density radial-distribution function $4πr^{2} ∑^{n}_{j,k}\overline{K}_{j}[ρ_{k}(r) — ρ_{0}]$ was calculated and some intra- and intermolecular distances in liquid 1-methylnaphthalene were determined. The structural data obtainable by X-ray analysis for liquid 1-methylnaphthalene are discussed. X-ray structural analysis was applied to determine the packing coefficient of 1-methylnaphthalene molecules.
3
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Molecular Correlations in Liquid mono- and Dlichloroalkanes

63%
Bochyński Z., Drozdowski H.
Acta Physica Polonica A
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1996
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vol. 89
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issue 4
547-554
EN
This paper reports results of the X-ray diffraction structural studies of a series of liquid monochloroalkanes (chlorohexane, chlorooctane, chlorodecane, chlorododecane) and dichloroalkanes (1, 6-dichlorohexane, 1, 8-dichlorooctane, 1, 10-dichlorodecane, 1, 12-dichlorododecane) performed at 20 and 40°C. From the X-ray diffraction patterns, obtained using Mo K_{α} radiation of the wavelength λ = 0.7107 Å, the mean angular distributions of intensities were determined. Then, the functions of radial distributions of electron density were numerically found using Fourier analysis. The mean structural parameters of the studied liquids (the inter- and intramolecular distances, the radii of coordination spheres, the coordination numbers) and the local arrangement of their molecules were established. The intermolecular arrangements in the studied liquid mono- and dichloroalkanes were found to be similar. Correlations were found between certain physical and chemical properties of the studied compounds and the spatial arrangement of their molecules.
4
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X-ray Diffraction Studies of Liquid Methylcyclohexane C_6H_{11}-CH_3 Structure at 293 K

63%
Drozdowski H., Nowakowski K.
Acta Physica Polonica A
|
2008
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vol. 114
|
issue 2
383-389
EN
The structure of methylcyclohexane C_6H_{11}-CH_3 at 293 K was investigated using the X-ray diffraction method. An angular distribution of X-ray radiation scattered in liquid methylcyclohexane was measured. The observable range of scattering angles was 6°≤2Θ≤120°. Monochromatic radiation Mo K_αenabled determination of the scattered intensity between S_{min}=0.92 Å^{-1} and S_{max}=15.313 Å^{-1}. The differential radial distribution function of electron density was calculated. The mean structural parameters of liquid methylcyclohexane (inter- and intramolecular distances, radii of coordination spheres, and packing coefficient) were determined and discussed. The most probable binary radial correlation of molecules in liquid methylcyclohexane was proposed. The approach proposed in this paper gives a good description of intermolecular interactions in liquids and is a useful X-ray method for their analysis. The paper presents the structure and molecular correlations in liquid methylcyclohexane determined for the first time by the X-ray diffraction method. The study of methylcyclohexane is a continuation of our studies of cyclohexane derivatives cyclohexylamine and 2-methylcyclohexane. The aim of the study was to establish a relation between the cis and trans isomers and the conformation of the cyclohexane derivatives in the liquid phase.
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