Molecular Correlations in Liquid mono- and Dlichloroalkanes

Bochyński, Z.; Drozdowski, Henryk

doi:10.12693/aphyspola.89.547

Cited by 9 publications

(9 citation statements)

References 9 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A similar conclusion was drawn by Bartsch et al [6] using neutron scattering data measured at 25 C. Bochynski et al [7,8] qualitatively assigned the peaks at 410, 515 and 615 pm in the X-ray radial distribution function at 20 C to the stacked, perpendicular T and L arrangements, respectively. On the other hand, the result by a pulsed neutron total scattering experiment at room temperature supported the T configuration in which two molecules are inclined at about 73 [9].…”

Section: Introductionsupporting

confidence: 72%

“…Two planes of the B and C molecules are inclined at 18 and hence the two molecules are interacting with an almost parallel fashion. However, the two rings are not stacked and the centre-centre distance is 726 pm, which is much larger than the values (350 [5] and 410 pm [7,8]) proposed previously. These different results may arise from the fact that the previous X-ray scattering studies accepted the quasi-lattice structure for the liquid based on the crystal structure of benzene.…”

Section: Structure Of Liquid Benzenecontrasting

confidence: 64%

“…Much attention has been paid for its hexagonal molecular structure by many chemists and a lot of investigations have been done. The structural studies for liquid benzene have also been performed by the X-ray [1][2][3][4][5][6][7][8] and neutron scattering methods [6,[9][10][11], and computer simulation [10][11][12]. Narten [5] reported that the liquid structure of benzene at 25 C is similar to that found in the crystalline state.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Liquid structure of benzene and its derivatives as studied by means of X-ray scattering

Katayama

Ashiki

Amakasu

et al. 2010

Physics and Chemistry of Liquids

View full text Add to dashboard Cite

The liquid structures of benzene, toluene, aniline, benzaldehyde and nitrobenzene were investigated by the X-ray scattering method. The X-ray scattering data were analysed by a method without constructing any structure models. The obtained liquid structure of benzene is different from the previous X-ray scattering results which were derived from the quasilattice structure for the liquid based on the crystal structure of benzene. This is because a molecular arrangement which is not found in the crystal structure is left out of consideration. In liquid toluene, benzaldehyde and nitrobenzene, two molecules are associated with the dipole-dipole interaction in the antiparallel fashion. Two aniline molecules are hydrogenbonded in liquid aniline. The third molecule weakly interacts with the other two in liquid toluene, aniline and benzaldehyde. In liquid nitrobenzene, the parallel dipole-dipole interaction of the third molecule with another one is present in the coplanar form. The substituent effect on the liquid structures is discussed.

show abstract

Section: Introductionsupporting

confidence: 72%

Section: Structure Of Liquid Benzenecontrasting

confidence: 64%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Liquid structure of benzene and its derivatives as studied by means of X-ray scattering

Katayama

Ashiki

Amakasu

et al. 2010

Physics and Chemistry of Liquids

View full text Add to dashboard Cite

show abstract

“…The liquid molecule is nonpolar and a construction of a liquid structure model is not easy. In fact, X-ray and neutron scattering measurements were carried out so far, 4,5,23,24 but no detailed intermolecular arrangement has never been given yet.…”

Section: Introductionmentioning

confidence: 99%

Analysis of Liquid Structure without Construction of Any Structure Models by the X-Ray Scattering Method

2007

View full text Add to dashboard Cite

Since a study on liquid paraffin by Debye and Scherrer, 1 a large number of structural studies on various liquids have been conducted by the X-ray scattering method. The structure of liquid water in various conditions has been examined by many investigators.2,3 Structural information on organic liquids has also been accumulated. [4][5][6][7] Due to large fluctuations caused by molecular motions in long distant regions, analyses of a liquid structure by the X-ray scattering method require one to make up a local structure model, i.e., an aggregate consisting of several liquid molecules, which best reproduces the X-ray scattering data.The simplest approach to deduce a structure model of a liquid will refer to a partial structure present in its crystal when the crystal structure has been determined. The interstitial model of liquid water by Narten 8 is the most famous example. Determinations of the local structure of organic liquids such as benzene, formamide, dimethyl sulfoxide, and N-methylacetamide at ambient temperature (their melting points are 5. 493, 2.55, 18.55, and 30.55˚C, respectively) are successful examples based on the partial structure in the crystal. [9][10][11][12] In order to obtain further information on the longer range intermolecular interactions of molecular liquids, Iijima and Nishikawa proposed the reciprocal space expansion in the analysis of X-ray scattering data. 13,14 However, these procedures do not apply if the temperature of a liquid is far from its melting point because of large differences of densities between solids and liquids. The intermolecular distances among molecules in a liquid are quite different from those in a solid phase.Another approach to construct a liquid structure is one that uses physicochemical properties of liquid molecules. When a liquid is protic and has a hydrogen-bonding ability, a two-or three-dimensional hydrogen-bonded network should be taken into account. For an aprotic polar liquid molecule, a negatively charged atom of a molecule approaches a positively charged atom of another molecule according to the charge distributions of the molecules. Also, molecules are piled up interacting with their dipole moments in an antiparallel way. Considering these patterns, one searches for molecular arrangements which reproduce X-ray scattering data well by a trial-and-error method. A good example is the structural determination of liquid acetonitrile. [15][16][17][18][19] However, analysis by this approach is a laborious task. Thus, a simple approach for determining a liquid structure without constructing any plausible structure models is necessary.Two methods have been used frequently for studying liquid structures without constructing any plausible models, i.e., the reverse Monte Carlo (RMC) 20 method and the empirical potential structure refinement (EPSR) 21 method. The RMC method is the computer simulation based on the Metropolis Monte Carlo procedure: a particle or a molecule moves so as to decrease the difference between the experimental scattering data and cal...

show abstract

“…Dichloroalkanes (Table I) have been studied in the liquid state by the NMR method [3] and by the X-ray diffraction [4]. The method of X-ray scattering and Fourier analysis enabled determination of the mean-structural parameters (interand intramolecular distances, radii coordination spheres, coordination numbers and molecule packing coefficients) of the liquids studied.…”

Section: Introductionmentioning

confidence: 99%

The application of the perrin–agishev model for calculation of the translational diffusion coefficients of liquid dichloroalkanes

Drozdowski

2004

Physics and Chemistry of Liquids

View full text Add to dashboard Cite

The article presents the translational diffusion coefficients calculated for dichloroalkanes series C n H 2n Cl 2 (where n ¼ 6, 8, 10, 12) in the liquid state, with the use of the Perrin and Agishev model. It has been shown that the molecules of dichloroalkanes assume a mutually parallel arrangement in three possible coordinations. The model of arrangement, orientations and packing of the molecules has been presented. The activation parameters of the compounds studied have been discussed. The physical and structural properties of the liquids studied (macroscopic density, electron density and molecular weight) are correctly described within the van der Waals model predicting their orientations and packing. The formulae linking the diffusion, viscosity and temperature for the liquids have been presented. The assumption that each molecule can be approximated by an ellipsoid of the semiaxes lengths a, b and c has been justified. The translations become slower with increasing volume and weight of the molecule. The diffusion coefficients decrease with increasing molecular weight.

show abstract

Molecular Correlations in Liquid mono- and Dlichloroalkanes

Cited by 9 publications

References 9 publications

Liquid structure of benzene and its derivatives as studied by means of X-ray scattering

Liquid structure of benzene and its derivatives as studied by means of X-ray scattering

Analysis of Liquid Structure without Construction of Any Structure Models by the X-Ray Scattering Method

The application of the perrin–agishev model for calculation of the translational diffusion coefficients of liquid dichloroalkanes

Contact Info

Product

Resources

About