Sodium 1,12-Dodecylene Disulfate Hydrate

Rudert, R.; Czichocki, G.

doi:10.1107/s0108270196003071

Cited by 4 publications

(7 citation statements)

References 2 publications

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“…These conclusions can be supported by model predictions of the area per molecule of a cone type calix[4]arene derivative 1 in a two-dimensional lattice. A model of the molecule was created and optimized with respect to their energy using the force field Tripos 5.2 . According to the conclusions of the π− A isotherm and because the complete molecule is too large and too flexible for a reliable crystal structure prediction, the alkyl chains and the phosphonate groups were then replaced by hydrogen atoms without further optimization.…”

Section: Resultsmentioning

confidence: 99%

“…The two phosphonate groups are rotatable and flexible, and probably they do not contribute to the area per molecule. The prediction was carried out by the program HARDPACK . The calyx was assumed to be rigid.…”

Section: Resultsmentioning

confidence: 99%

“…A model of the molecule was created and optimized with respect to their energy using the force field Tripos 5.2. 24 According to the conclusions of the π-A isotherm and because the complete molecule is too large and too flexible for a reliable crystal structure prediction, the alkyl chains and the phosphonate groups were then replaced by hydrogen atoms without further optimization. In that way the cone conformation of the calyx was preserved.…”

Section: Resultsmentioning

confidence: 99%

“…The prediction was carried out by the program HARD-PACK. 24 The calyx was assumed to be rigid. The atoms were regarded as hard impenetrable spheres with radii of 1.80 Å (carbon) and 1.17 Å (hydrogen).…”

Section: Resultsmentioning

confidence: 99%

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Characteristic Features of Amphiphilic P-Functionalized Calixarene Monolayers at the Air/Water Interface

et al. 2003

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The combined application of surface pressure-area (π-A) isotherms, Brewster angle microscopy (BAM), and grazing incidence X-ray diffraction (GIXD) offers a powerful possibility to characterize the amphiphilic P-functionalized calix[4]arene monolayers at the air/water interface. The studies are performed with two calix[4]arene bisphosphonates 1 and 2, which are phosphorylated in the same way at the upper rim and differ only in the number of alkyl chains at the lower rim (compound 1 with four n-dodecyl chains; compound 2 with two n-dodecyl chains in opposite positions). Significant differences exist in the π-A isotherms of the two calix[4]arene bisphosphonates 1 and 2 monolayers. In the case of derivative 1, they resemble those of usual amphiphiles with the characteristic temperature dependence and a coexistence region between a fluid and condensed phase. The π-A isotherms of derivative 2 deviate considerably from those of typical amphiphilic monolayers having no temperature dependence and no "plateau" region. The characteristics of the π-A isotherms of both derivatives 1 and 2 are not affected by interaction with counterions of different valency (Na + , Cd 2+ , Eu 3+ , Th 4+ ) present in the subphase. Both derivatives 1 and 2 form two-dimensional condensed phase domains with a specific shape which is more or less modified by different-valent counterions in the aqueous subphase. The analysis of the BAM results corroborates the general differences between the monolayer properties of derivative 1 and 2. The GIXD results show that only the monolayers of derivative 1 form a 2D lattice structure. The data indicate a rectangular unit cell, which is not changed by the complexation of thorium ions by the phosphonate groups.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Characteristic Features of Amphiphilic P-Functionalized Calixarene Monolayers at the Air/Water Interface

et al. 2003

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“…2D Lattice Model Calculations. Using the program HADRPACK, a 2D crystal structure can be predicted. The molecular structure was modeled by MM2, and the partial atomic charges were calculated by density functional theory and a natural population .…”

Section: Methodsmentioning

confidence: 99%

Phase Behavior of 2,3-Disubstituted Methyl Octadecanoate Monolayers at the Air−Water Interface

et al. 2005

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The phase behavior of 2,3-disubstituted methyl octadecanoate monolayers at the air-water interface is studied by film balance and a Brewster angle microscope (BAM). The comparison of the surface pressure-molecular area (pi-A) isotherms with the corresponding BAM images provides information on the phase behavior of the monolayers. Variations in the phase behavior of different 2,3-disubstituted methyl octadecanoate monolayers can be correlated with the size of the headgroups, the interactions between the polar molecular moieties and the subphase, and the intermolecular interactions. The enlarging of the headgroups makes forming a condensed monolayer difficult for the molecules, even after introduction of substituents giving rise to the formation of hydrogen bonds between the molecules, which may balance the steric repulsion and stabilize the monolayers. Model calculations of the two-dimensional lattice structure of the 2,3-disubstituted methyl octadecanoates on basis of the pg and p1 space group are performed and correspond well with the experimental results.

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Phase Transition in Monolayers of Straight Chain and 2-Methyl Branched Alcohols at the Air−Water Interface

et al. 2002

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Monolayers of straight chain and 2-methyl branched chain alcohols with alkyl chain lengths of C10−C18 are experimentally studied by a conventional film balance technique combined with a Brewster angle microscope (BAM). The comparison of the surface pressure (π)−area (A) isotherms with the corresponding BAM images provides information on the phase behavior and the first-order main phase transition of the monolayers. Striking differences in the dependence of the phase transition pressure on temperature of the straight chain and 2-methyl-substituted alcohols are correlated with differences in the molecular ordering. The general conditions for the main phase transition in the corresponding homologous alcohols can be derived. The effect of alkyl chain length and 2-methyl substitution on the general textural features of the condensed phase domains is determined under equilibrium and nonequilibrium conditions. n-Alcohol monolayers form defined and well-shaped condensed phase domains, often with inner texture in equilibrium. The long-range orientational order is strongly reduced in the condensed phase of 2-methyl-alcohols. Therefore, in the two-phase coexistence region of 2-methyl-alcohol monolayers only irregularly shaped domains without any inner structure are formed, which cannot be observed at the medium alkyl chain length C14 because of the low contrast. Model calculations of the two-dimensional lattice structure of the racemic 2-methyl-hexadecanol on the basis of the pg space group are performed and correspond well with the reduced ordering concluded from the experiments.

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Sodium 1,12-Dodecylene Disulfate Hydrate

Cited by 4 publications

References 2 publications

Characteristic Features of Amphiphilic P-Functionalized Calixarene Monolayers at the Air/Water Interface

Characteristic Features of Amphiphilic P-Functionalized Calixarene Monolayers at the Air/Water Interface

Phase Behavior of 2,3-Disubstituted Methyl Octadecanoate Monolayers at the Air−Water Interface

Phase Transition in Monolayers of Straight Chain and 2-Methyl Branched Alcohols at the Air−Water Interface

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