Quadrupole moments of benzene, hexafluorobenzene and other non-dipolar aromatic molecules

Vrbancich, Julian; Ritchie, G. L. D.

doi:10.1039/f29807600648

Cited by 146 publications

(81 citation statements)

References 3 publications

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“…In C,F, solution the solute protons do not experience h~g h field shifts (compare C,F, and C6H,, solutions in Tables 1 and 2). These results are in keeping with the charge distribution in C6D6 and C,F, deduced from the signs of their quadrupole moments (24). (Table 3).…”

Section: So-c8hi2 (C-c6hi2)supporting

confidence: 50%

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Schaefer¹,

Sebastian²,

Wildman³

1981

Can. J. Chem.

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Can. J . Chem. 59. 3021 (i981) The stereospecific spin-spin coupling constants between the hydroxyl proton and the ring protons for 2-iodophenol in various solvents yield some free energy differences between the cis and trans conformations of this molecule at 305 K. Comparison with areas of the hydroxyl stretching bands in the same or similar solvents shows that the ratio of the absorptivity coefficients for the two conformers is sensitive to solvent. It is suggested that this ratio is temperature dependent and therefore apparent enthalpy differences must be considered tentative for at least some solutions. Molecular orbital calculations are consistent with the arguments concerning the absorptivity coefficients. [Tradti~t par le journal]

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Section: So-c8hi2 (C-c6hi2)supporting

confidence: 50%

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Schaefer¹,

Sebastian²,

Wildman³

1981

Can. J. Chem.

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“…In the reactions carried out in a Schlenk tube, the starting materials were exclusively recovered ( Table 2, entries 2-5) regardless of the solvent used, except for acetonitrile, which led to 8% conversion (Table 2, entry 6). Note that hexafluorobenzene, a solvent with a quadrupolar moment similar to CO 2 , 26 did not cause any conversion (Table 2, entry 5).…”

Section: Resultsmentioning

confidence: 99%

Metal-free and VOC-free O-glycosylation in supercritical CO₂

et al. 2017

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Supercritical carbon dioxide (scCO 2 ) is a suitable medium to perform transition metal-free glycosylation reactions in the absence of volatile organic solvents (VOCs) using glycosyl halides as glycosyl donors. The methodology described here can be applied for obtaining O-glycosides in a totally green reaction, as well as orthoesters, depending on the reaction conditions. The process is much more sensitive to temperature changes than to pressure modification, with glycosyl chlorides requiring higher temperatures to be activated than glycosyl bromides. Pivaloyl groups act as good CO 2 -philic units and are shown to be the best choice to obtain good stereoselectivities. The relevance of the fluid nature and supercritical conditions was also evidenced.

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“…The molecular quadmpole moment is not a commonly available parameter, but values have been reported for these three compounds (13)(14)(15)(16).…”

Section: Resultsmentioning

confidence: 99%

Orientation of some disk-shaped solutes in nematic liquid crystals

Yim¹,

Gilson²

1988

Can. J. Chem.

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The solute orientation parameters for benzene, trichloro-, and tribromobenzene have been measured, as functions of temperature, in the nematic solvents EBBA and ZLI-1132. The potential functions for orientation were derived for the model based on short and long-range contributions to the potential, with the former dependent on either a function of molecular shape or of molecular volume. There is reasonable agreement between calculated and experimental solute order parameters in both cases, and the difference in solute order parameter in the two solvents arises mainly from the difference in solvent electric field gradient.Utilisant les solvants nematiques EBBA et ZLI-1132, on a mesure les paramktres d'orientation de solute du benzkne et des trichloro-et tribromo-benzknes, en fonction de la temperature. On a obtenu les fonctions de potentiel du modkle en se basant sur les contributions au potentiel 2i courte ainsi qu'i longue distance; les premikres dependent soit de la forrne soit du volume molCculaire. Dans chacun de ces cas, on observe une bonne concordance entre les parametres calculCs et les paramktres experimentaux pour l'ordre des solutes; dans ces deux solvants, la difference dans le paramktre d'ordre du solute provient principalement de la difference dans le gradient du champ Clectrique.[Traduit par la revue] Introduction There have been numerous attempts to extend the original Maier-Saupe theory of nematic liquid crystals (1) to account for the orientation of a solute molecule dissolved in a nematic solvent, and, in particular, to relate this orientation to some molecular property of the solute. Recently, Bumell and coworkers (2-4) have proposed two approaches to this problem. The first is that the intermolecular forces responsible for the orientation of the solute arise from both short:range and longrange interactions, which depend upon the solute molecular size and shape and on the interaction of the solute molecular quadmpole moment with the electric field gradient in the solvent, respectively. The second theory (4) requires that a plot of the

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Quadrupole moments of benzene, hexafluorobenzene and other non-dipolar aromatic molecules

Cited by 146 publications

References 3 publications

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Metal-free and VOC-free O-glycosylation in supercritical CO₂

Orientation of some disk-shaped solutes in nematic liquid crystals

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Quadrupole moments of benzene, hexafluorobenzene and other non-dipolar aromatic molecules

Cited by 146 publications

References 3 publications

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Information from stereospecific spin–spin couplings about the relative absorptivities of the hydroxyl stretching bands in 2-iodophenol solutions

Metal-free and VOC-free O-glycosylation in supercritical CO2

Orientation of some disk-shaped solutes in nematic liquid crystals

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Product

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Metal-free and VOC-free O-glycosylation in supercritical CO₂