bluuebunny/crossref_metadata_2025_split huggingface dataset:
A CNDO Study of Biphenyl
Authors: Tajiri Akio , Takagi Shohji , Hatano Masahiro 
Published: July 2006

Abstract
The ground-state electronic structure of biphenyl were studied by the use of the CNDO/2 method. It was found that the lengthening of the central C–C bond in biphenyl gave a reasonable minimum point for the potential energy curve. A modified version of the CNDO/2 method was used in order to calculate the electronic spectra of biphenyl for three possible (planar, angular, and vertical) conformations. The method gave a reasonable interpretation of the spectral features of biphenyl.
Kinetics of Oxygen Exchange between Selenite Ions and Water
Authors: Okumura Akiko , Okazaki Nobukazu 
Published: July 2006

Abstract
The rate of oxygen exchange between selenite ions and solvent water has been measured at 0°C over the pH range of 8.7–12.5. The rate of exchange, R, may be expressed by the rate law;
R=k1[SeO32−]+k2[HSeO3−]+k3[HSeO3−]2+k4[HSeO3−][SeO32−].
The observed rates were analysed in order to obtain the values of the rate constants. The over-all exchange reaction shows a negative salt effect; this has been shown to be an equilibrium salt effect on the dissociation of the hydrogen selenite ion.
Structure of Ethylene Oxide Oligomer Complexes. II. A 1:1 Complex of Tetraethylene Glycol Diethyl Ether with Mercuric Chloride
Authors: Iwamoto Reikichi 
Published: July 2006

Abstract
Structure of a 1:1 complex of tetraethylene glycol diethyl ether CH3CH2O(CH2CH2O)4CH2CH3 (TGE) with mercuric chloride has been investigated by means of X-ray diffraction. The complex has a cubic unit cell with a=−12.54 Å and four molecules of both TGE and HgCl2 are contained in the unit cell. The space group is Pa3-Th6. Four Hg atoms are located at the positions corresponding to the face centered arrangement. The TGE molecule is statistically arranged around the Hg atom located at the position having site symmetry \bar3. The following molecular conformation of TGE was suggested :
CH3CH2\undersetT–O\undersetT–CH2\undersetG–CH2\undersetT–O2\undersetT–CH2\underset\barG–CH2\undersetT–O\undersetT–CH2\undersetG–CH2\undersetT–O\undersetT–CH2\underset\barG–CH2\undersetT–O\undersetG–CH2–CH3
where T, G, and \barG indicate trans, gauche, and minus gauche forms, respectively. The TGE molecule encloses the HgCl2 molecule around the Hg atom with close interatomic distances between the Hg and O atoms.
Structure of Ethylene Oxide Oligomer Complexes. III. A 1:2 Complex of Hexaethylene Glycol Diethyl Ether with Mercuric Chloride
Authors: Iwamoto Reikichi 
Published: July 2006

Abstract
Molecular and crystal structure of a 1:2 complex of hexaethylene glycol diethyl ether CH3CH2O(CH2CH2O)6-CH2CH3 (HGE) with HgCl2 has been determined by means of X-ray diffraction. The unit cell is monoclinic with a=23.34, b=7.84, c=16.69 Å, and β=115.0°. The space group is C2/c. The unit cell contains four HGE and eight HgCl2 molecules. The HGE molecule in the complex has the conformation
CH3–CH2\undersetT–O\undersetT–CH2\undersetG–CH2\undersetT–O\undersetT–CH2\underset\barG–CH2\undersetT–O\undersetT–CH2\undersetG–CH2\undersetG–O\undersetG–CH2\undersetG–CH2\undersetT–O\undersetT–CH2\underset\barG–CH2\undersetT–O\undersetT–CH2\undersetG–O\undersetT–CH2\undersetG–CH2\undersetT–O\undersetT–CH2–CH3,
where T, G, and \barG denote trans, gauche, and minus gauche, respectively, two HgCl2 molecules being coordinated with one HGE molecule. The asymmetric unit consists of a half of HGE and one HgCl2 molecule. The four oxygen atoms of either half of HGE, which are coplanar, are coordinated with one Hg atom with close interatomic distances (2.66–2.91 Å) between the O and Hg atoms, the central oxygen atom of HGE being coordinated with two Hg atoms. The HgCl2 molecule is distorted from the linear form by 4°.
The Catalytic Effect of the Bismuth Nitrate on the Autoxidation of Olefins
Authors: Tsuchiya Fujio , Ikawa Tsuneo 
Published: July 2006

Abstract
The catalytic effect of the bismuth nitrate on the autoxidation of olefins has been investigated. Nitrogen dioxide, oxygen atoms, and bismuth oxynitrate, which are the thermal decomposition products of the bismuth nitrate, are not involved in the initiation of the reaction. The bismuth nitrate is only effective on olefinic compounds, not on saturated hydrocarbons, and it does not decompose hydroperoxide. The catalysis of the bismuth nitrate is supposed to result from direct interaction with olefin.
Determination of Catalytic Rate Constants in the Reaction of Lysozyme and Oligosaccharide by Computer Simulation Analysis
Authors: Tada Hiroko , Kakitani Toshiaki 
Published: July 2006

Abstract
We have developed Chipman’s kinetic study on a reaction of lysozyme and oligosaccharide. That is, we have analyzed how each catalytic rate constant affects the pattern of time-course graphs of oligomer concentrations in the reaction. By fitting computer simulation curves to three experimental time-course graphs, values of the catalytic rate constants for the bond-cleavage, transglycosylation and hydration are determined step by step. Also some binding constants are evaluated.
Reaction between p-Toluenesulfinic Acid and Diphenyldiazomethane
Authors: Kobayashi Michio , Minato Hiroshi , Fukuda Hideo 
Published: July 2006

Abstract
Reaction between p-toluenesulfinic acid and diphenyldiazomethane was investigated in several solvents. Reaction was faster in non-polar solvents and slower in polar solvents. Experiments with CH3C6H4SO2D showed that protonation of diphenyldiazomethane is the rate-determining step. In non-polar solvents the main product was benzhydryl p-tolyl sulfone, whereas in polar solvents benzhydryl p-toluenesulfinate was the main product. In ethanol, benzhydryl ethyl ether was also produced. The mechanism of the reaction was discussed.
The Oxidation of 2,3-Dihydro-4H-pyran-4-ones
Authors: Sato Kikumasa , Inoue Seiichi , \={O}hashi Masao 
Published: July 2006

Abstract
The synthesis and oxidation of substituted 2,3-dihydro-4H-pyran-4-ones are described. The reaction of crotonoyl chloride with β-ketoester gave dihydro-4H-pyran-4-ones (I). Dihydro-γ-pyrone (Ia) is oxidized, hydrolyzed, and subsequently decarboxylated to give 6-methyl maltol (IV).
Calculation of the Nonradiative Transition Rate for the 1B1u→1B2u Transition in Benzene
Authors: Shimakura Noriyuki , Fujimura Yuichi , Nakajima Takeshi 
Published: July 2006

Abstract
The nonradiative transition rate for the 1B1u→1B2u transition in benzene was calculated taking into account the pseudo-Jahn-Teller distortion in the 1B1u state and using a crude adiabatic approximation. The calculated rate constant is compared with the experimental one reported by Katz et al.
Effects of Pressure on the Chemical Properties of Solid Surface, VIII. The Surface Acidity of the Compressed Magnesium Sulfate
Authors: Kawakami Takeshi , Banba Hiroyoshi , Ogino Yoshisada 
Published: July 2006

Abstract
In order to clarify the mechanism of the acidity change due to compression, magnesium sulfate was compressed under various pressures ranging from 0 to 12000 kg/cm2, the surface acidities, the powder X-ray diffraction patterns, the DTA data, and infrared spectra of the compressed samples were thus obtained. According to the experimental results, the surface acidity of the sample did not vary upon the compression of low pressures (0–6000 kg/cm2), and a further increase in the compacting pressure resulted in an increase in the surface acidity. From the results of the X-ray diffraction studies, infrared, and far infrared absorption studies and the DTA studies, the relations between the acidity change and the structural changes of the samples were discussed. As a result of this work, the observed acidity change was explained in terms of the distortion of the structural unit of magnesium sulfate.
Solubilization Behavior of Mixed Micelles of Anionic and Nonionic Surfactants in Relation to Their Micellar Structures
Authors: Tokiwa Fumikatsu , Tsujii Kaoru 
Published: July 2006

Abstract
The solubilization behavior of mixed micelles of nonionic and anionic surfactants toward a water-insoluble dye, Yellow OB, has been studied. The surfactants examined were a nonionic surfactant, dodecyl polyoxyethylene ether (C12POE), and anionic surfactants with the chemical structure of (Remark: Graphics omitted.), where m+n=8 and where m or n is 0, 4, or 8 (and sodium decyl sulfonate for reference). The solubilization greatly depends on the position of the benzene ring in the hydrocarbon chain of the anionic surfactant mixed; in the mixture of C12POE and (Remark: Graphics omitted.), the synergistic effect in solubilization is remarkable. The results have been discussed in relation to the structure or compactness of the polyoxyethylene shell of the mixed micelle, and in relation to the interaction of anionic and nonionic surfactants in their mixed micelle, which had previously been observed by NMR measurements.
Chemical Approach to the Radiolysis of Polyphosphate Glass. I. Effects of Sb(III, V), Mo(V, VI) and U(IV, VI) Ions
Authors: Kobayashi Yoshimitsu , Matsuura Niro 
Published: July 2006

Abstract
The yields of radiation-induced electrons and holes trapped in the glass matrix are easily determined by introducing metal ions, such as Sb, Mo, and U ions, into water-soluble NaPO3 polymer glass. Doping 1 mol % of these ions of a lower oxidation state wholly prevents the trapping of holes and results in oxidation to their higher oxidation states. A reaction in the reverse direction also occurs for the same ions of a higher oxidation state, which are converted into a lower one by reduction. This radiation-induced redox reaction has a minimum yield at a dopant composition corresponding to Sb2O4 for Sb(III)–Sb(V), Mo6O17 for Mo(V)–Mo(VI), and U3O8 for U(IV)–U(VI) redox couples. The largest effective volume among these ions for capturing the holes is for Sb(III). In a high-dose region (1020 to 1021 eV/g), the yields of the redox products of these ions increase logarithmically with the γ-dose absorbed. This makes it difficult to determine the G-value of the redox products precisely. The approximate values are in an order of magnitude of 0.1 atom per 100 eV absorbed.
The Dielectric Relaxation of γ-Alumina
Authors: Kondo Seiichi , Muroya Masa-aki , Fujiwara Hirofumi , Yamaguchi Noboru 
Published: July 2006

Abstract
The dielectric constant of high-purity γ-alumina, synthesized in this laboratory and having the specific surface area of 220 m2/g, was measured in the frequency range from 30 Hz to 3 MHz and 9.72 GHz and at temperatures ranging from 120 to −196 °C. About 180 °C was found reasonable as the desorption temperature of the water adsorbed on γ-alumina. Three dielectric relaxations, I, II, and III, were found, and some inferences were given as to their mechanism in relation to loosely-adsorbed water, a surface hydroxyl group which can be easily dehydrated, and some other kind of hydroxyl group with a weak interaction with its neighbors, respectively.
ESR Studies on Radiation-Induced Polymerization of 1,3-Butadiene in Urea Canal Complexes
Authors: Ohmori Toshio , Ichikawa Takahisa , Iwasaki Machio 
Published: July 2006

Abstract
The ESR spectrum of γ-irradiated 1,3-butadiene in urea canal complexes at 77 K consists of 7 lines with a hyperfine splitting of 15 G and is assigned to the monomer radical CH3–CH=CH–\dotCH2 which may be produced by hydrogen addition to the 1,3-butadiene. Upon warming to room temperature the spectrum changes into a 6×2-line spectrum (a1=14 G and a2=4 G), which is attributed to the propagating radical R–CβH2–CαH=CH–\dotCH2 occluded in the urea canals. On cooling back to 77 K, the 6×2-line spectrum is transformed into a 5-line spectrum (a=14 G); this spectral change is reversible with temperature and is interpreted in terms of oscillation of the propagating radical around the Cβ–Cα bond. On further warming to 400 K, the propagating radical is converted to the “chain” allyl type radical R–CH2–CH=CH–\dotCH–CH2–R′, of which room-temperature spectrum consists of 7×2 lines (a1=14 G and a2=4 G). This radical conversion is explained by hydrogen atom transfer reaction within the propagating radical through the radical chain and/or between the propagating radical and a neighbouring polymer chain. Irradiated 1,3-butadiene-1,1,4,4-d4 in urea canals is also examined and the results obtained confirm the above-mentioned identifications.
A Study on Restricted Rotation in 1-Acylpyrroles
Authors: Matsuo Taku , Shosenji Hideto , Miyamoto Reiji 
Published: July 2006

Abstract
Restricted rotation of the N-acyl group in 1-acylpyrroles was studied by means of NMR spectroscopy. The free energy of activation (ΔFc\eweq) for 1-formylpyrrole is 14.1 kcal/mol, which is less than that for DMF by 6.8 kcal/ mol. The value of ΔFc\eweq decreases in the order 1-formyl-, 1-acetyl-, and 1-benzoyl-pyrrole in exactly the same manner as is found in the series of N,N-dimethylamides with the corresponding acyl group: the difference in ΔFc\eweq between a pair of compounds with the same acyl group in the two series remains constant (ca. 6 kcal/mol). The ΔFc\eweq-value for 3,4-dimethyl-1-acetylpyrrole is larger than that for 1-acetylpyrrole by 1 kcal/mol. In this particular case, the entropy of activation was found to be responsible for the difference in barrier height.
The Crystal and Molecular Structure of 4,10b-Methano-8H-benzo[ab]cyclodecen-8-one
Authors: Yahashi Ryosuke , Shimanouchi Hirotaka , Sasada Yoshio 
Published: July 2006

Abstract
4,10b-Methano-8H-benzo[ab]cyclodecen-8-one (C14H10O), a stable derivative of so-called 1,6-methano[10]annulene, forms reddish orange crystals of the space group Pbca, with eight molecules in a unit cell with dimensions of a=16.567, b=14.090, and c=8.418 Å. The structure was solved by the symbolic addition method and refined by the block-diagonal least-squares method. The final R factor was 0.080 for the 1386 independent observed reflections. The lengths of the peripheral bonds of the [10]annulene nucleus do not exhibit any apparent alternation. The peripheral eight atoms are approximately coplanar. The C–O distance (1.236 Å) is longer than those in quinones and tropones, and it is consistent with the large dipole moment and high basicity of the present molecule.
Identification of Normal Paraffins and Olefins from Thermal Decomposition Products of Polyethylene
Authors: Iida Takeaki A , Honda Kenichi , Nozaki Hiroshi 
Published: July 2006

Abstract
Straight-chain components of the high boiling fractions of thermal decomposition products of low-density polyethylene were obtained through urea adduct formation, and analyzed by chromatographic separation methods. They were found to be a mixture of approximately 60 wt% of paraffins (C10 to C30), 35 wt% of terminal olefins (C10 to C26), and 5 wt% of nonterminal olefins (C10 to C26) with predominantly 2-alkenes. A silica gel–silver nitrate mixture was found to be useful for chromatographic separation of hydrocarbon components.
Arylation of Olefin with Iodobenzene Catalyzed by Palladium
Authors: Mori Kunio , Mizoroki Tsutomu , Ozaki Atsumu 
Published: July 2006

Abstract
Arylation of propylene, ethylene, styrene, and methyl acrylate with iodobenzene was found to be catalyzed by metallic palladium in methanol to give methylstyrene, styrene, t-stilbene, and methyl cinnamate, respectively. Their yields and selectivities increased significantly by the addition of excess potassium acetate as an acceptor of hydriodic acid formed. The course of catalytic reaction is discussed in terms of the oxidative addition of iodobenzene to a palladium complex of low oxidation state.
Charge-transfer and Proton-transfer in the Formation of Molecular Complexes. VI. 3,3′,5,5′-Tetranitrobiphenyl-4,4′-diol Complexes with Aromatic Amines
Authors: Saito Gunzi , Matsunaga Yoshio 
Published: July 2006

Abstract
The 3,3′,5,5′-tetranitrobiphenyl-4,4′-diol complexes with twenty-eight aromatic monoamines were prepared and characterized on the basis of their compositions and vibrational and electronic spectra. Many amines were found to form yellow-colored complexes with a 1 : 1 composition and orange- or red-colored complexes with a mole ratio of 2 : 1 or higher. The former complexes appeared to be salts formed by means of the proton-transfer from the diol to the amine molecule, while the latter appeared to be complexes of a new type where charge-transfer and proton-transfer interactions simultaneously operate. The deep coloration of the latter complexes was interpreted in terms of a charge-transfer interaction between the anion derived from the diol and the second monoamine molecule. Furthermore, the complexes with ten aromatic diamines were examined. The 1 : 1 o-dianisidine complex was of particular interest in that it is either of the charge-transfer type or of the proton-transfer type, depending upon the preparative conditions.
The 2288 Å Photolysis of Hydrogen Iodide in the Presence of Ethylene and Propylene
Authors: Sano Yasuhisa , Sato Shin 
Published: July 2006

Abstract
The photolysis of hydrogen iodide at 2288 Å has been investigated in the presence of ethylene or propylene. The combinations studied were DI-C2H4, HI-C2D4, and DI-C3H6. In all combinations, the formation of a large amount of HD was observed; this may be attributed to the reaction of hot hydrogen atoms. The pressure dependence of the relative yields of HD and total hydrogen suggested that, of the two possible hot hydrogen atom reactions with ethylene, the abstraction reaction,
D*+C2H4→C2H3+HD (2)
does not occur, while the substitution reaction,
D*+C2H4→C2H3D+H (3)
is the important process. In the case of propylene, however, the abstraction of H by D* is important for the formation of HD. The measured ratios of C2H3D/HD in the DI–C2H4 system and of C2D3H/HD in the HI–C2D4 system were consistent with the above conclusion. Reaction (3) is probably not a real substitution reaction, but a combination of the addition reaction of a hydrogen atom to ethylene and the rapid decomposition of the excited ethyl radical produced.
Ultrasonic Absorption in Aqueous Solutions of Octylamine. Kinetic Investigation of Proton Transfer Reaction
Authors: Nishikawa Sadakatsu , Yasunaga Tatsuya , Tatsumoto Nobuhide 
Published: July 2006

Abstract
The ultrasonic absorption in the mesomorphic state of octylamine water system was characterized by double relaxations. One in the lower frequency range has been explained by the structural relaxation theory of the two state model. In order to clarify the mechanism of the relaxation in the higher frequency range, the ultrasonic absorption in a relatively dilute aqueous solution was measured. The mechanism of the absorption was attributed to hydrolysis from the concentration dependence of the relaxation time. The rate constant kf for the proton transfer reaction, the equilibrium constant K=kb⁄kf, and the standard volume change ΔV resulting from the reaction were determined to be 1.0×1010 M−1 sec−1, 7.6×10−3M, and 32 cc mol−1 respectively.
Stability Constants of Lanthanoid(III) Complexes with 7-Bromo-8-hydroxy-5-quinolinesulfonic Acid
Authors: Manku Gurcharan Singh 
Published: July 2006

Abstract
Stability constants of the tervalent yttrium and lanthanoid complexes with 7-bromo-8-hydroxy-5-quinolinesulfonic acid have been determined in aqueous medium containing 0.100 M sodium perchlorate at 25±1°C by means of pH-titration. The trends in the order of the stability constants of these complexes are also discussed.
Cobalt(II) Complexes of Diethylenetriamine-N,N′,N″-triacetic Acid
Authors: Kawato Toshio , Kanatomi Hajime , Murase Ichiro 
Published: July 2006

Abstract
Cobalt(II) complexes of diethylenetriamine-N,N′,N″-triacetic acid (DTTA) were prepared. From spectrophotometric and magnetic data, diaquo-DTTA-Co(II) was found to have an octahedral arrangement in which the N,N′-diacetate moiety and two water molecules are in the coordination sphere, and the terminal amino acid residue dangles outside. On heating the diaquo-complex, thermal rearrangement occurred with loss of water and the complex took a tetrahedral configuration. This was confirmed by its electronic spectrum and magnetic moment. The tetrahedral complex turned to another octahedral complex with absorption of water, the configuration of which seemed to differ from the original as judged by spectral difference. Cobalt(II) complexes of ethylenediamine-N,N′-diacetic acid (EDDA) were also prepared and investigated for the sake of comparison.
Studies on Nitro Carboxylic Acids. III. The Reaction of α-Nitroolefins with Triethyl or Diethyl Phosphite
Authors: Shin Chung-gi , Yonezawa Yasuchika , Katayama Katsuhiro , Yoshimura Juji 
Published: July 2006

Abstract
The reaction of α-nitroolefins with triethyl or diethyl phosphite was studied and structural assignment of the products was made by spectroscopic analyses. Ethyl α,β-unsaturated α-nitrocarboxylates (IV) and 1-nitroalkenes (V) reacted with triethyl phosphite to afford ethyl β-diethoxyphosphinyl-α,β-unsaturated-carboxylates (IX) and 2-diethoxyphosphinyl-1-alkenes (X), respectively. Compound (IV) reacted with diethyl phosphite to give ethyl β-diethoxyphosphinyl-α-nitrocarboxylates (VI). The geometrical isomerism in IX and the reaction mechanism were discussed.
Preparation, Polymerization, and Copolymerization of N-Vinyl Phthalimidine
Authors: Murata Kenichi 
Published: July 2006

Abstract
The preparation, polymerization, and copolymerization of N-vinyl phthalimidine were investigated. The monomer was prepared by the dehydrochlorination of N-(β-chloroethyl) phthalimidine. Polymerization was carried out in the presence of radical or cationic initiators in bulk and in solution. It was found that polymerizability with cationic initiators was larger than that with radical ones. The resulting polymers had a softening point in the range of 160–180°C, the reduced viscosities being small. Copolymerization with acrylonitrile and styrene was carried out in dimethylformamide and benzene by radical initiators. The monomer reactivity ratios and Alfrey-Price Q, and e values calculated from the copolymerization data of the monomer (M1) and styrene (M2) were r1=0.05, r2=7.4, Q1=0.30, and e1=−1.80. Values for N-vinyl pyrrolidone (M1) were likewise determined for the sake of comparison, and found to be r1=0.02, r2=12.0, Q1=0.22, and e1=−1.99.
The Synthesis of 4-Chloro-3-benzoyl-2-azetinone Derivatives and Their Conversion into N-Benzoyl-2,4-azetidinedione Derivatives
Authors: Matsui Kiyotada , Motoi Masatoshi 
Published: July 2006

Abstract
The treatment of ethyl α-cyanophenylacetate with benzoyl chloride in the presence of 2 equivalents of aluminum chloride in nitrobenzene afforded 4-chloro-3-benzoyl-3-phenyl- (6% yield) and 4-chloro-3-benzoyl-3-(p-benzoylphenyl)-2-azetinone (28%) at 50°C. The same treatment of ethyl α-cyanopropionate afforded 4-chloro-3-benzoyl-3-methyl-2-azetinone (37%). The hydrolytic splitting of the chlorine atoms from the first two azetinones resulted in the formation of N-benzoyl-2,4-azetidinedione derivatives (36 and 20% respectively), whereas from the last we obtained N-benzoyl-α-carboxypropionamide (18%). These azetinone derivatives, when warmed with sodium methoxide in methanol, were converted into α-benzoyl α-cyano esters. The treatment of α-benzoyl α-cyano esters with aluminum chloride also afforded the azetinone derivatives in low yields.
Sterically Controlled Syntheses of Optically Active Organic Compounds. XVII. Asymmetric Syntheses of Amino Acids by Addition of Benzoyl Cyanide to the Azomethine Compounds
Authors: Harada Kaoru , Okawara Tadashi 
Published: July 2006

Abstract
The addition reactions of benzoyl cyanide to the Schiff’s bases prepared from several aliphatic aldehydes with optically active benzylic amines were studied. The adioditn products were hydrolyzed and hydrogenolyzed to form optically active amino acids. The synthetic yields of optically active amino acids were in a range 15 to 57% and the optical purities were in a range 15–37%. When S-α-alkylbenzylamines were used, S-amino acids were obtained.