Molecular structure of liquid n-paraffins and n-alcohols

Golik, A. Z.; Skryshevskii, A. F.; Adamenko, I. I.

doi:10.1007/bf00743253

Cited by 4 publications

(3 citation statements)

References 9 publications

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“…4a-d, reveal three broad maxima in the range of r 3-20 Å , which have been ascribed to three subsequent spheres of intermolecular ordering [17]. The spread of each sphere and the coordination numbers of molecules (Table III) have been determined.…”

Section: Resultsmentioning

confidence: 94%

Molecular Correlations in Liquid mono- and Dlichloroalkanes

Bochyński¹,

Drozdowski²

1996

Acta Phys. Pol. A

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This paper reports results of the X-ray diffraction structural studies of a series of liquid monochloroalkanes (chIorohexane, 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 A, 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 simiłar. Correlations were found between certain physical and chemical . properties of the studied compounds and the spatial arrangement of their molecules.

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Section: Resultsmentioning

confidence: 94%

Molecular Correlations in Liquid mono- and Dlichloroalkanes

Bochyński¹,

Drozdowski²

1996

Acta Phys. Pol. A

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“…The experimental results of Harvey and Prietzschk were confirmed theoretically by Jagodzinski (1947). The structural X-ray analysis of aliphatic alcohols was carried out by Ukrainian scientists (Golik, Skryshevskii & Adamienko, 1967;Golik, Skryshevskii & Ravikovich, 1954). Their studies confirmed the tendency of alcohol molecules to associate at room temperature as well as the increase of coordination number from 3 for amyl alcohol to 5 for decyl alcohol.…”

Section: Introductionmentioning

confidence: 99%

X-ray diffraction study of the structure of 1-propanol at –25°C

Mikusińska-Planner¹

1977

Acta Cryst Sect A

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Then the coupling tensors for the internal modes of the molecule have to be calculated from a complete forceconstant matrix. We do not see a solution in which the quantum-chemically calculated static densities can correctly be converted to dynamic densities.References COPPENS, P. (1969). Acta Cryst. A25, 180-186. FRITCHIE, C. J. (1966). Acta Cryst. 20, 27-38. HASE, H. L., REITZ, H. & SCHWEIG, A. (1976). Chem. Phys. Lett. 39, 157-159. HIRSHFELD, F. L. (1976). Acta Cryst. A32, 239-244. PAWLEY, G. S. (1971). Acta Cryst. A27, 80-81. REES, B. (1976). Acta Cryst. A32, 483-488. SCHERtNGER, C. (1972a). Acta Cryst. A28, 616-619. SCHERINGER, C. (1972b). Acta Cryst. A28, 516-522. SCHERINGER, C. (1973). Acta Cryst. A29, 554-570. SCHERINGER, C. (1977a Molybdenum Ke X-radiation, monochromated by an NaC1 single crystal, was scattered in 1-propanol at -25°C. The angular distribution of the scattered X-ray intensity was determined and used for the calculation of the experimental pair function. On the basis of some models of the structure of liquid 1-propanol, the theoretical curves of pair functions were calculated and then compared to the experimental curve. The most probable model of the liquid is that of statistically distributed chains of 1-propanol molecules.

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“…In its X-ray diffraction [2,3] and electron diffraction [4] studies it was established that the mean distance between carbon atoms in the chain was C(1)-C(2) = 1.53 ± 0.01 Α and the distance C(1)-H(11) = 1.12 λ. So far X-ray diffraction studies of liquid n-alkanes have been reported by Hewlett [5], Sogani [6], Stewart [7,8], Wilson and Ott [9], Pierce [10], Golik, Skryshevskii, Adamenko [11] and Habenschuss and Narten [3].…”

Section: Introductionmentioning

confidence: 99%

Structure and Molecular Correlation of Liquid Alkanes

Bochyński

Drozdowski

1995

Acta Phys. Pol. A

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The paper reports structural investigations of a series of liquid a l k a n e s , f r o m n -C 6 H 1 4 ( n -h e x a n e ) t o n -C 1 6H 3 4 ( n -h e x a d e c a n e ) , d i c h e r i n g b y t w o methyl groups (CH2)2, n-C 20 H 42 (n-eicosane) and n-C30H62 (n-triacontane) performed in temperatures from 20°C to 70°C. The average angular distribution of intensity was determined by dichraction of monochromatic X-ray radiatioii Mo Kα , λ = 0.7107 Α and the functions of radial distribution of electroii density were calculated for the studied compounds. Mean structural parameters including distances between molecules and atks, coordination numbers as well as correlation parameters were obtained. The suitability of the method for structural studies of n-alkanes with the number of carbon atoms from 6 to 30 is discussed.PACS numbers: 61.25.Εm I n t r o d u c t i o nHexane was the first aliphatic liquid studied by X-ray methods [1]. In its X-ray diffraction [2,3] and electron diffraction [4] studies it was established that the mean distance between carbon atoms in the chain was C(1)-C(2) = 1.53 ± 0.01 Α and the distance C(1)-H(11) = 1.12 λ. So far X-ray diffraction studies of liquid n-alkanes have been reported by Hewlett [5] This paper presents results of X-ray structural investigations of eight n-alkanes (Tables I and II) with an even number of carbon atoms. Such n-alkanes as n-tetradecane, n-hexadecane and n-triacontane have not been studied by X-ray diffraction yet [12]. Alkanes have practically zero dipole moment (μ = 0) [13] and their centre of symmetry is between the middle carbon atoms.(1089)

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Molecular structure of liquid n-paraffins and n-alcohols

Cited by 4 publications

References 9 publications

Molecular Correlations in Liquid mono- and Dlichloroalkanes

Molecular Correlations in Liquid mono- and Dlichloroalkanes

X-ray diffraction study of the structure of 1-propanol at –25°C

Structure and Molecular Correlation of Liquid Alkanes

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