bluuebunny/crossref_metadata_2025_split huggingface dataset:
Studies on the Chemical Shifts of Auger Electron Energies for Magnesium and Zinc in Their Compounds
Authors: Nishikida Shunichi , Ikeda Shigero 
Published: July 2006

Abstract
The energy shifts of X-ray excited Auger electrons and photoelectrons for zinc and magnesium in their metals, oxides, halides, and chelate compounds are analyzed in terms of the relaxation effect. Zn 2p3⁄2, 3d photoelectron, Zn L3M45M451G Auger electron, Mg 1s, 2p photoelectron and Mg KL23L231D Auger electron peaks were provided for the investigation. The quantitative estimation of the extra-atomic relaxation energies for core electron emission was performed by combining atomic spectral data, XPS and AES data of the compounds. For zinc compounds, extra-atomic relaxation energies increase in the order of ZnF2&lt;ZnCl2&lt;ZnBr2≈ZnO&lt;ZnI2≈ZnS&lt;Zn(acac)2, whilst the values are not fairly systematic for magnesium compounds. The nearest neighbored atom is found to be the important function for the extra-atomic relaxation energies.
Proton Magnetic Relaxation Time T1 of Water in Acrylamide Gel
Authors: Katayama Seiji , Arata Yoji , Fujiwara Shizuo 
Published: July 2006

Abstract
Proton magnetic relaxation time T1 of water in polyacrylamide gel was measured. The results have been interpreted in terms of the contribution from dissolved oxygen and the intrinsic nature of gel. A minimum of 1⁄T1 appears in a system with a ca. 2.8% concentration of acrylamide, corresponding to the lowest concentration for gel formation.
Characteristic Behavior of Damping Coefficient of Capillary Wave on Surfactant Solution
Authors: Sasaki Minoru , Yasunaga Tatsuya , Ashida Minoru , Kan Haruki 
Published: July 2006

Abstract
The damping coefficient of a capillary wave on decylamine hydrochloride and octylamine hydrochloride solutions decreased abruptly in the vicinity of a critical micelle concentration. The phenomenon observed was well interpreted by an equation derived on the basis of a surface mechanical impedance.
Preparation of trans-Dichlorocobalt(III) Complexes of N-Alkylethylenediamines
Authors: Kitamura Taku , Saburi Masahiko , Yoshikawa Sadao 
Published: July 2006

Abstract
N-Alkylethylenediamine (RNHCH2CH2NH2; R=butyl, hexyl, isobutyl, and isopropyl) complexes of the type [CoCl2(diamine)2]X prepared by usual airoxidation method except the case of R=isopropyl. The N-ipren (R=isopropyl) complex was obtained by employing methanol as the solvent. A brief consideration of the steric effect of N-isopropyl group was given.
Molecular Structure of 2,2-Dichloropropane as Determined by a Combined Use of the Electron-diffraction Data and the Spectroscopic Moments of Inertia
Authors: Hirota Masashi , Iijima Takao , Kimura Masao 
Published: July 2006

Abstract
The molecular structure of 2,2-dichloropropane has been determined by the joint analysis of the electron-diffraction data and the moments of inertia obtained by Matsumura and Takeo by means of microwave spectroscopy. Under the assumptions that rg(C–H) is in the range of 1.100–1.110 Å and that \varphia(HCH.) is larger than 107.0°, the structure parameter values have been determined (with the limits of error in parentheses) to be as follows: rg(C–Cl), 1.799(3) Å; rg(C–C), 1.523(4) Å; rg(cl…Cl), 2.910(1) Å; rg(C…Cl), 2.702(1) Å; \varphiav(ClCCl), 108.3(3)°, and \varphiav(CCC), 113.0(4) °. The rg-structure determined in the present study is in perfect conformity with the r0-structure determined by Matsumura and Takeo. The C-Cl and C-C distances are shorter than the corresponding distances in 2-chloropropane.
The Effect of Poly(oxyethylene) Alkyl Ethers, Alkanediols, and Alkanols on the Critical Micelle Concentration of Sodium Dodecyl Sulfate
Authors: Manabe Masahiro , Koda Masaharu 
Published: July 2006

Abstract
The effect of the addition of the homologues of poly(oxyethylene) alkyl ethers (CmH2m+1(OCH2CH2)nOH: m=3–6, n=1–4), α,ω-alkanediols (m=4–6,8), and 1-alkanols (m=2–7) on the critical micelle concentration (CMC) of sodium dodecyl sulfate (SDS) was examined. The homologous additives are appropriate for studying the effect of polar groups as well as an alkyl group. The CMC decreases with an increase in the concentration of additive. The rate of CMC-decrease estimated at the infinite dilution of the additive increases with the length of alkyl chain in each homologue. The dependence of the rate on the alkyl chain length is the same for all the homologues with longer chain (m≥4 for ethers and alkanols, and m&gt;6 for alkanediols). This is ascribed to the complete transfer of the long alkyl chain into the interior of micelles. The dependence of rate on the number of polar groups (OH, OCH2CH2) is as follows. The rate for alkanediol is lower than that for alkanol with a given alkyl chain. The rate for ethers increases asymptotically with the length of oxyethylene chain. The result for alkanediol is ascribed to the pronounced hydrophilic nature, and that for ethers to the reduction of electrostatic repulsive force between ionic head groups of the surfactant in micelles.
MINDO/3 Study of 7-Norbornyl, 7-Norbornenyl, and 7-Norbornadienyl Cations
Authors: Furusaki Akio , Matsumoto Takeshi 
Published: July 2006

Abstract
The geometries, charge distributions, and heats of formation for 7-norbornyl, 7-norbornenyl, and 7-norbornadienyl cations have been calculated by the use of the semi-empirical MINDO/3 SCF MO method. Each of these cations is symmetrical with respect to the plane which contains the C(7)–H(7) bond and bisects the C(1)–C(7)–C(4) angle. Both the 7-norbornenyl and the 7-norbornadienyl cations take the nonclassical bridge-structure: the C(2)–C(3) and C(2)–C(7) distances are about 1.43 and 1.67 Å respectively, and the C(2)–C(1)–C(4)–C(7) dihedral angle is about 75°. The classical 7-norbornyl cation also is quite unsymmetrical with regard to the C(1)–C(7)–C(4) plane: the C(2)–C(1)–C(4)–C(7) and C(7)–C(1)–C(4)–C(5) dihedral angles are 94° and 144°, respectively. The calculated barriers to the bridge flipping in the 7-norbornyl and 7-norbornadienyl cations are 3.2 and 33.0 kcal/mol respectively. Although the latter is much higher than its observed value of 19.6 kcal/mol, it seems possible that solvation considerably lowers the barrier height. The present article also touches upon the solvolyses of derivatives of these carbocations.
Vibrational Spectra and Normal Coordinate Calculations for Trimethylaluminium–Ammonia
Authors: Watari Fumio , Shimizu Shigenori , Aida Koyo , Takayama Eiji 
Published: July 2006

Abstract
Studies were carried out on the infrared spectra (33–4000 cm−1) of four isotopic trimethylaluminium–ammonia complexes, (CH3)3AlNH3, (CD3)3AlNH3 (CH3)3AlND3, and (CD3)3AlND3 in the solid state at low temperature, and on the Raman spectra (0–4000 cm−1) in the solid state and in solution of dichloromethane and of benzene at ambient temperature. Assignments for all fundamentals except internal torsion were made on the basis of C3v molecular symmetry. For the sake of confirmation normal coordinate calculations were carried out utilizing a symmetry force field. The Al–N stretching force constant was found to be 1.544 mdyn/Å.
Linear Free Energy Relationships in Heterogeneous Catalysis. XIII. The Dehydration of Aliphatic Alcohols over Silica–Alumina
Authors: Take Jun-ichiro , Matsumoto Tadayuki , Yoneda Yukio 
Published: July 2006

Abstract
In order to survey the applicability of linear free-energy relationships to the catalytic dehydration of aliphatic alcohols, isopropyl alcohol and n-, s-, and t-butyl alcohols were dehydrated over silica–alumina at 54–166 °C. The dehydration was zero order in alcohol over the pressure range of 0.01 to 0.1 atm. The true activation energies were 32.0, 35.3, 31.7, and 29.9 kcal/mol for isopropyl alcohol and n-, s, and t-butyl alcohols, respectively. The zero-order rate constants were exclusively affected by the activation energy. A linear relationship was found between the true activation energy, as well as the logarithm of the zero-order rate constant, and the heterolytic bond dissociation energy for the C–O bond in alcohols, D(R+OH−). The activation energy increased and the rate constant decreased with an increase in the D(R+OH−). These correlations were explained in terms of the heterolytic fission of the C–O bond in the rate-determining step.
Neutron Diffraction Study of the Structure of Liquid Water
Authors: Ohtomo Norio , Arakawa Kiyoshi 
Published: July 2006

Abstract
The structure factor for heavy water at 17 °C up to the Q value of 18 Å−1 has been determined by means of the time-of-flight (TOF) diffraction method using pulsed neutrons produced by LINAG. The result has been compared with structure factors calculated on the basis of the various structure models of liquid water; the “uncorrelated orientation model” and the “watery model” (Page and Powles), the “near-neighbor model” (Narten) and the “revised watery model” (authors). None of these models has been found to fit the neutron diffraction data satisfactorily over the entire range of Q, though our curve is somewhat improved in comparison with the curves for earlier models. Some discussions about the various structure models of liquid water have been made.
Light Scattering Study of Local Structures in Solutions. Structure-Forming Effect of Non-Associative Solvent on Ethanol Aggregate
Authors: Fujiyama Tsunetake , Tanaka Masami 
Published: July 2006

Abstract
Light scattering spectra were observed for binary mixtures of ethanol and carbon tetrachloride, and of ethanol and cyclohexane at various concentrations. The Rayleigh intensities were reduced to concentration fluctuation values. From the observed concentration fluctuation values, the mean association numbers of ethanol at each concentration were calculated. The results were compared with that observed in ethanol-chloroform system, where associative interaction between ethanol and chloroform molecules is expected. The concentration dependencies of the mean association numbers suggested that these non-associative solvent molecules (carbon tetrachloride and cyclohexane) promote the formation of large local structure in ethanol solution.
Selective Hydrogen Atom Abstraction by H Atoms in Radiolysis and Photolysis at 77 K: Decane-d22, Tetramethylsilane, and Xenon Matrices
Authors: Miyazaki Tetsuo , Kasugai Joji , Wada Manabu , Kinugawa Kazuhisa 
Published: July 2006

Abstract
The selective formation of HD and solute radicals in the radiolysis of n-C10D22 doped with n-C10H22 at 77 K is explained quantitatively by the mechanism of a selective hydrogen-atom-abstraction reaction by D atoms. The selective hydrogen-atom abstraction by H atoms is found also in tetramethylsilane and xenon matrices as well as in the alkane matrix. The rate constants of the abstraction reaction by H atoms are compared with the bond energies of the solvent and solute molecules. The bond energy of the solvent molecule is always higher than that of the solute molecule. Even if the difference in the bond energy between the solvent and the solute is very small, the k(solute)/k(solvent) ratio is quite large. The k(solute)/k(neo-C5H12) ratios for different solutes in a neopentane matrix are not influenced by the differences in the bond energy among the solutes. Since an isotope effect on the selective hydrogen-atom abstraction reaction is small, the effect may diminish the possibility of the quantum mechanical tunneling abstraction by thermal H atoms. The energy loss of hot H atoms in a Xe matrix is discussed.
Kinetic Studies of the Dimerization Reaction of Thionine by the Laser Raman Temperature-jump Method
Authors: Inaoka Wataru , Harada Shoji , Yasunaga Tatsuya 
Published: July 2006

Abstract
Kinetic studies of the dimerization reaction of thionine in an aqueous solution have been performed by the laser temperature-jump method with the use of the stimulated Raman effect in high-pressure H2 gas. From the concentration dependence of the relaxation time, the formation and dissociation rate constants of the thionine dimer have been obtained. The data have been confirmed by the equilibrium constant, independently obtained spectrophotometrically. The formation rate constant of the dimer was very large, and the process was revealed to be a diffusion-controlled reaction, similar to those with other dyes.
Charge-Transfer Character in the Intramolecular Hydrogen Bond: Vacuum Ultraviolet Spectra of Acetylacetone and Its Fluoro Derivatives
Authors: Nakanishi Hiroshi , Morita Hiroshi , Nagakura Saburo 
Published: July 2006

Abstract
Near and vacuum UV absorption spectra of trifluoroacetylacetone (TFAC) and hexafluoroacetylacetone (HFAC) were measured at room temperature in the vapor phase and in perfluorohexane in the 30000–80000 cm−1 region, together with a vacuum UV absorption spectrum of acetylacetone in the 60000–80000 cm−1 region. By the aid of the modified CNDO-CI calculation, each of the observed valence-shell transition bands was assigned to the π–π**, π–σ*, or σ–σ* transition. The third σ–σ* bands observed at 65200 cm−1 for acetylacetone, at 78000 cm−1 for TFAC, and at 70400 cm−1 for HFAC were concluded to be rich in the CT character pertinent to hydrogen bond. In particular, the third σ–σ* band of HFAC was found to be the CT band pertinent to hydrogen bonding in the sense that the contribution of the CT configuration to the excited state amounts to 67.4%.
Aluminum Chloride Catalyzed Friedel-Crafts Reaction of Anisole with Epoxide Accompanying Isomerization
Authors: Inoue Masashi , Sugita Toshio , Ichikawa Katsuhiko 
Published: July 2006

Abstract
The reaction of anisole with propylene oxide by aluminum chloride has been studied in various kinds of solvents. While the normal Friedel-Crafts reaction yielded 2-(methoxyphenyl)-1-propanols, 1,1-bis(methoxyphenyl)-propanes were also formed in this reaction; these were not obtained by the subsequent reaction of mono(methoxyphenyl) products with another anisole. The yields of 1,1-bis(methoxyphenyl)propanes increased by increasing the basicity of solvents. The mechanism of the formation of 1,1-bis(methoxyphenyl)propanes can be explained by the isomerization of epoxide to aldehyde and the subsequent condensation with anisole. Various kinds of epoxides also gave 1,1-bis(methoxyphenyl)alkanes in nitromethane.
The Polymorphic Crystallization of Titanium(IV) Oxide under Hydro-thermal Conditions. II. The Roles of Inorganic Anions in the Nucleation of Rutile and Anatase from Acid Solutions
Authors: Izumi Fujio 
Published: July 2006

Abstract
Titanic acid was treated with hydrochloric, nitric, sulfuric, and hydrofluoric acids at 350 °C and 49 MPa to give titanium(IV) oxide. With increasing acid concentration, its polymorphic forms changed from anatase to rutile in hydrochloric and nitric acids, but from anatase to rutile, then back to anatase in sulfuric and hydrofluoric acids. Rutile and anatase crystals were grown from 1.7–9.5 mol dm−3 hydrofluoric acid at 360–560 °C by the temperature-drop method. Lower temperatures and higher concentrations of the acid favored anatase formation. The mechanisms for crystallization of the two forms are discussed by considering the chemical behavior of titanium(IV) complexes involved in their primary nucleation.
The Reaction of Alkyl Halides with Mercury(II) and Potassium Thioacetates and Selenocyanates
Authors: Uemura Sakae , Watanabe Nanao , Toshimitsu Akio , Okano Masaya 
Published: July 2006

Abstract
The reactions of alkyl halides with mercury(II) and potassium thioacetates afford alkyl thioacetates (RSCOMe), SN1 and SN2 type reactions taking place. In neither case is ROCS Me formed. Reactions with mercury(II) selenocyanate usually give only small amounts of alkyl selenocyanates and/or isoselenocyanates as isolated products except the case of benzyl bromide from which benzyl selenocyanate was obtained almost quantitatively. The ambident reactivity of this salt was revealed to be not so strong as that of mercury(II) thiocyanate. The reaction with potassium selenocyanate is also reported for comparison.
Synthesis of Stachyose Tetradecaacetate and An Isomer
Authors: Suami Tetsuo , Otake Toshiki , Nishiyama Shigeru , Adachi Ryoichi , Nakamura Katsumi 
Published: July 2006

Abstract
Condensation of 1′,2,2″,3,3′,3″,4,4′,4″,6′-deca-O-acetylraffinose (1) with 2,3,4,6-tetra-O-benzyl-d-galactopyranosyl chloride in the presence of tetraethylammonium chloride, followed by deacetylation, debenzylation and subsequent acetylation afforded stachyose tetradecaacetate. An isomer in which a terminal d-galctopyranosyl group is attached to the 6″-O of raffinose in β-anomeric linkage, was prepared by condensing 1 with 2,3,4,6-tetra-O-acetyl-α-d-galactopyranosyl bromide in the presence of mercury(II) cyanide. 13C NMR spectra of stachyose tetradecaacetate and the isomer were discussed.
Cyclization of Isothiosemicarbazones. I. A New Route to 2-Mercapto-imidazole Derivatives and 4-Substituted Imidazoles
Authors: Yamazaki Chiji 
Published: July 2006

Abstract
Some 1-arylmethyleneamino-2-mercapto-4-aryl-1H-imidazole derivatives were prepared by the condensation of isothiosemicarbazones of aromatic carbonyl compounds with phenacyl bromides. The 1,2,5-trisubstituted isomers were obtained by substitution of dl-α-bromophenylacetaldehyde for phenacyl bromide in this condensation. The reaction of isothiosemicarbazones of aliphatic carbonyl compounds with phenacyl bromides produced a dark, complex mixture from which the corresponding 1-alkylideneamino-2-mercapto-4-aryl-1H-imidazoles and 3,5-disubstituted 1,2,4-triazines were isolated in poor yields, with the latter being a main product or a sole heterocyclic product depending on the reaction conditions. Reductive cleavage of the cyclized products with zinc dust in acetic acid-acetic anhydride solution gave 1-acetyl-4-aryl-1H-imidazoles, which were readily hydrolyzed to 4-aryl-1H-imidazoles. The susceptibility to acid hydrolysis of the arylmethyleneamino group was dependent on the extent of conjugation between the azomethine double bond and the adjacent aromatic rings. Hydrazinolysis of the azomethine double bond yielded 1-amino-2-mercapto-4-aryl-1H-imidazoles in high yields. Their structures were established on the basis of NMR, IR, UV, and mass spectra as well as elemental analyses. Differentiation between 1,2,4- and 1,2,5-trisubstituted imidazoles was discussed.
Formaldehyde Polymers. 22. Reaction Products of 6,8-Dimethyl-4-chromanone with Formaldehyde—On the Dimeric Products—
Authors: Ninagawa Akira , Matsuda Haruo 
Published: July 2006

Abstract
The reaction of 6,8-dimethyl-4-chromanone with formaldehyde has been carried out in 96% sulfuric acid. From the mother liquors after obtaining 5-hydroxymethyl-6,8-dimethyl-4-chromanone, the methylene and oxydimethylene dimers of 6,8-dimethyl-4-chromanone, 6,6′,8,8′-tetramethyl-5,7′-methylenedichroman-4,4′-dione and bis(6,8-dimethyl-4-oxochroman-5-ylmethyl) ether, respectively, were isolated by recrystallization. 1H- and 13C-NMR spectra of 5-hydroxymethyl-6,8-dimethyl-4-chromanone in 96% sulfuric acid show the existence of 6,8-dimethyl-4-oxochroman-5-ylmethyl cation. The intermediate ion is stable, not reacting in sulfuric acid.
Calorimetric Phenomena of Methanol Adsorption on Active Carbon
Authors: Tsunoda Ryoichi , Fukazawa Yoshiyuki 
Published: July 2006

Abstract
The heats of immersion in methanol of active carbon which preadsorbed methanol from the vapor phase at a given equilibrium pressure were measured. The calorimetric phenomena of methanol adsorption on active carbon were interpreted by comparing them with the distribution of the adsorption potential of methanol on active carbon.
Carbon Deposition on Nickel from a Mixture of Ethylene and Hydrogen
Authors: Kishimoto Shozo , Sotani Noriyuki , Niimi Kazuyo , Urata Toshiko 
Published: July 2006

Abstract
Two periods (acceleration and steady state period) were defined in the process of carbon deposition on cold-worked nickel from ethylene. From the dependence of the former period on annealing temperature, it was found that lattice defects in the crystal play a role in the creation of carbon nuclei and the separation of nickel atoms from the surface.
Esterification of N-(Benzyloxycarbonyl)amino Acids and Amino Acids Using BF3–Etherate as Catalyst
Authors: Yamada Takashi , Isono Nobuyuki , Inui Akemi , Miyazawa Toshifumi , Kuwata Shigeru , Watanabe Hiroshi 
Published: July 2006

Abstract
Methyl and ethyl esters of N-(benzyloxycarbonyl) amino acids were prepared conveniently in good yields using BF3–etherate as catalyst. Esterification of free amino acids was also examined.
Resolution of α-Formyl-ε-acyl-Dl-lysines by Acylase
Authors: Minematsu Yoshihiro , Shimohigashi Yasuyuki , Waki Michinori , Izumiya Nobuo 
Published: July 2006

Abstract
Taka-acylase hydrolyzed an α-formyl derivative of ε-acyl-l-lysine faster than the corresponding α-acetyl derivative. Preparative resolution by crude Takaacylase afforded ε-formyl or ε-benzyloxycarbonyl-l-lysine from the corresponding α-formyl-ε-acyl-Dl-lysine. The action of p-toluenesulfonic acid on α-formyl-ε-benzyloxycarbonyl-d-lysine under mild conditions afforded pure ε-benzyloxycarbonyl-d-lysine.
Studies of Quinazoline Pigments. II. Synthesis of Dimethyl Substituted Pyrido[2,1-b]pyrido[1′,2′:1,2]pyrimido-[4,5-g]quinazoline-7,15-diones
Authors: Yokoyama Yasukazu 
Published: July 2006

Abstract
In the presence of alkali, 4,12-, 3,11-, 2,10-, and 1,9-dimethyl derivatives of 6, 14-dihydropyrido[2,1-b]pyrido[1′,2′:1,2]pyrimido[4,5-g]quinazoline-7,15-dione reacted with nitrobenzene to give 2,5-bis(3-, 4-, 5-, and 6-methyl-2-pyridylamino) terephtharic acids. The intramolecular cyclization of 3-, 4-, and 5-methyl derivatives, gave 4,12-, 3,11-, and 2,10-dimethylpyrido[2,1-b]pyrido[1′,2′:1,2] pyrimido[4,5-g]quinazoline-7,15-dione respectively, but the 6-methyl derivative did not give any cyclization product. The synthesis of the 1,9-dimethyl derivative was accomplished by the dehydrogenation of 1,9-dimethyl-6,14-dihydropyrido[2,1-b]pyrido[1′,2′:1,2] pyrimido[4,5-g] quinazoline-7,15-dione with p-chloranil.
Studies on Nucleosides and Nucleotides. VI. A Facile Cleavage of the Anhydro Bond of 2′,3′-O-Isopropylidene-O2,5′-cycloiiridine with the Use of Proton Acid or Lewis Acid
Authors: Kimura Junji , Mitsunobu Oyo 
Published: July 2006

Abstract
When 2′,3′-O-isopropylidene-O2,5′-cyclouridine (1) was allowed to react with methanol in the presence of p-toluenesulfonic acid at room temperature, 5′-O-methyl-2′,3′-O-isopropylideneuridine was obtained in good yield. Similarly, with the use of boron trifluoride etherate, 1 reacted smoothly with diphenyl phosphate to give the corresponding 5′-phosphorylated product.
A Theoretical Approach to the Rearranged Ion in the Mass Spectrum of Methyl Formate
Authors: Takagi Tsutomu , Oiwa Masayoshi 
Published: July 2006

Abstract
The hydrogen-migration mechanism of the fragmentation of the methyl formate under electron impact has been discussed from the standpoint of the all-valence electron semi-empirical SCF-MO theory (CNDO/2-Unrestricted Hartree Fock), assuming the following models:
(Remark: Graphics omitted.)
The model for the hydrogen migration and the possible driving force are presented based on the partition method. The localized MO calculation has been carried out, by the “energy localization” method of the MINDO MO’s, for the origin and the terminus of the migration as an aid to the understanding of the migration. Although the possibility of the hydrogen migration in other models can not always be neglected, the hydrogen migration via Model 1 may be estimated to be energetically favorable, judging from the variation in the total energy and the conformation influence.