NMR study of molecules in anisotropic systems. II. 1a,2a,3e,4e,5e,6e- and 1e,2e,3e,4e,5e,6e-hexachlorocyclohexanes dissolved in nematic liquid crystals.

スポンサーリンク

概要

• 論文の詳細を見る

• NMR spectra of the titled compounds (α- and β-BHC) have been measured in nematic solvents and analyzed. Vibrational corrections were important for the full interpretation of the observed direct couplings. The order parameters showed that the BHC molecules orient most preferably with their six-membered rings parallel to the optic axis of the nematic solvents. Molecular structure of α-BHC derived from the direct couplings corresponds well with those determined by the X-ray method on a crystal and calculated by the MNDO MO method. For β-BHC, however, discrepancies are found with the crystallographic structure, suggesting molecular deformations in the crystal state. Principal axes have been determined for the order matrix and compared with those for the moment of inertia. The difference between the two principal axis systems in α-BHC is interpreted as due to a steric repulsive effect between the two axial chlorine atoms and the solvent molecules.

• 公益社団法人 日本化学会の論文

著者

• Fujiwara Hideaki

  Faculty Of Medicine Osaka University

• Takagi Tatsuya

  Faculty Of Pharmaceutical Sciences Osaka University

• SASAKI YOSHIO

  Faculty of Pharmaceutical Sciences Osaka University

• Shimizu Naoto

  Faculty of Pharmaceutical Sciences, Osaka University

関連論文

• Feasibility of Estimating the Novel Quantitative Structure-Activity Relationship (QSAR) Descriptor σ_ by Means of Gas-Liquid Chromatography. I. : Halogenobenzene Derivatives
• QSAR ANALYSIS BY MEANS OF NOVEL SUBSTITUENT ENTROPY CONSTANT σ_
• Thermochemical Aspects of Partition. A Study on The Novel Hydrophobic Parameters of Multiply-Substituted Benzoic Acids
• Metabolism of an ionic contrast medium and the related agents
• The Energy Aspects of Oil/Water Partition. Proposition of Novel Hydrophobic Parameters for the Treatment of Quantitative Structure-Activity Relationships
• Unusual Behavior of Ion Transport Mediated by Polyene Antibiotics. Activation Energies for the Exchange of Na^+ Ions through Liposomal Membranes Studied by ^Na-NMR Spectroscopy
• Structural Effects in NMR Spectroscopy of Vinylic Compound 1. Investigation of Intramolecular Specific Interactions C-H…N in Hetaryl Vinyl Ethers by ^1H, ^C, ^N, and ^O NMR Spectroscopies and Quantum-Chemical Calculations
• The solution chemistry of organotin compounds. IV. Thermodynamic parameters of the complex formation between MeSnCl3 and alkyl sulfoxides determined from titration calorimetry.
• The solution chemistry of organotin compounds. III. A thermodynamic study of the molecular interaction of Me2SnCl2 with Lewis bases by means of nuclear magnetic resonance spectroscopy.
• Solvation effect on the complex formation between o-quinones and metal chlorides in nonaqueous media.
• Development and applications for the simulater of intermolecular potentials. II. Hydration effects on the conformation of tyramine.
• Entropy changes in the inclusion complex formation of .ALPHA.-cyclodextrin with alcohols as studied by the titration calorimetry.
• Studies on the complex formation between o-quinones and metal chlorides in nitromethane solution.
• NMR study of molecules in anisotropic systems. II. 1a,2a,3e,4e,5e,6e- and 1e,2e,3e,4e,5e,6e-hexachlorocyclohexanes dissolved in nematic liquid crystals.
• Solution structure and preferred orientation of 3,7-dichloro-10H-phenothiazine dissolved in nematic liquid crystal.
• The solution chemistry of organotin compounds. I. A 1H NMR study of the complex formation between methyltin trichloride and 4-substituted pyridines.
• The Energy Aspect of Oil/Water Partition and Its Application to the Analysis of Quantitative Structure-Activity Relationships. Aliphatic Alcohols in the Liposome/Water Partition System.
• Association between polar molecules. III. 1H and 13C NMR studies on the dipole association of acetonitrile derivatives with tetramethylurea and dibutyl sulfoxide in nonpolar solvents.
• Thermodynamic properties of solution of nonspherical molecules determined from gas-liquid chromatography and calculated by the scaled particle theory using the Kihara potential.
• The solvation effect on the reactions in solution. I The solvation model for the interpretation of entropy changes in the complex formation of dichlorodimethylstannane with pyridine.
• The entropy of solution of alkanes measured by gas-liquid chromatography and interpreted by means of scaled particle theory.

もっと見る 閉じる

スポンサーリンク