bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Franck-Condon Factor of a Polyatomic Molecule. Its Method and Application to Acetylene and Dideuteroacetylene
Authors: Kanesaka Isao , Kawai Kiyoyasu 
Published: July 2006

Abstract
An advanced method for the calculation of the Franck-Gondon factor is reported. It is realized on the assumption of the neglect of the zero-point motions except for the three normal coordinates whose vectors are three-dimensionally orthogonal to each other. The overlap integral is given by the Cartesian displacement coordinate system in order to consider precisely the molecular structures of the ground and excited states. This coordinate system does not cause any conflicts with the above assumption. Thus, the overlap integral is defined every nucleus with one- to three-dimensional formulae to satisfy sufficiently the Franck principle, which has been considered precisely only in the case of the diatomic molecule. The method is applied to acetylene and dideuteroacetylene with very good results. The intensity factors obtained are discussed, along with the effects of the force constants and anharmonicity.
Activity Measurement and Colloid Chemical Studies of Aqueous Sodium Tetradecyl Sulfate Solutions
Authors: Koshinuma Masakatsu , Sasaki Tsunetaka 
Published: July 2006

Abstract
A concentration cell using an ion-exchange semipermeable membrane as a septum for the measurement of the activities of ionic surfactants has been constructed, the method of measurement is here in described. The membranes used proved each to be exclusively permeable to one ion. The activities of both the tetradecyl sulfate ion (TS−) and the counterion (Na+) were determined. In the concentration region from 4.0×10−4 mol/1 to CMC, logf±=−(0.070logC+0.283) held for the mean activity coefficient, f±. The f± value at the CMC was found to be 0.81, considerably smaller than the value, 0.978, calculated by the Debye-Hückel equation taking account of the ionic size, 5.5 Å. Above the CMC the activity of the TS− ion decreased, that of the Na+ ion increased, and the mean activity slightly increased with the NaTS concentration. The Gibbs adsorption isotherm was applied for the adsorption of NaTS, using exclusively the observed data of the amount of adsorption, the surface tension, and the activities. A satisfactory agreement was obtained between the amount of adsorption observed and that calculated. The observed decrease in the surface tension above the CMC was confirmed by calculations using the Gibbs adsorption iostherm, the observed data of activity, and the amount of adsorption. The charged-phase separation model was verified as the mechanism of the micelle formation, and the degree of counterion attachment was calculated to be 0.81.
Semi-empirical Localized MO Calculations of Saturated Carbocyclic and Heterocyclic Compounds
Authors: Frenking Gernot , Kato Hiroshi , Hirao Kimihiko , Fukui Kenichi 
Published: July 2006

Abstract
Localized MO calculations have been carried out by the “energy localization” method of Edmiston and Ruedenberg, based upon the INDO MO’s, for 3-, 4-, and 5-membered cycloalkanes and their heterocycles containing one oxygen or nitrogen atom. Furthermore, LMO calculations were performed for the protonated three-membered heterocyclic compounds. The s-nature of the LMO’s is discussed and correlated with the bond angle, the bond moment, the bond energy, and the bond polarity. Some LMO density maps are shown.
Benzoyl Peroxide- and Photo-induced Reactions of Diethyl Mesoxalate in Cyclohexane and Toluene
Authors: Pac Chyongjin , Sakurai Hiroshi , Shima Kensuke , Ogata Youichi 
Published: July 2006

Abstract
Benzoyl peroxide-catalyzed reactions of diethyl mesoxalate in cyclohexane gave ethyl cyclohexylglyoxylate (I) as the main product, accompanied by smaller amounts of diethyl cyclohexylhydroxymalonate (II), ethyl 2-oxobutyrate (III), and diethyl ethylhydroxymalonate (IV), while similar reactions in toluene gave no ethyl phenyl-2-oxopropionate. The a-ketoesters (I) and (III) and the hydroxymalonates (II) and (IV) were considered to arise from β-cleavage and hydrogen atom-abstraction, respectively, of alkoxy radicals A, which take place with addition of cyclohexyl and ethyl radicals to ketonic carbon of diethyl mesoxalate. Irradiation of cyclohexane and toluene solutions of diethyl mesoxalate gave II and diethyl benzylhydroxymalonate (V), respectively, as main products.
Dielectric Relaxation Studies of Trihalogenated Esters in Different Solvents at Microwave Frequency
Authors: Purohit H D , Sharma H S , Vyas A D 
Published: July 2006

Abstract
The dielectric permittivity ε′ and dielectric loss ε″ have been measured at 9.83 GHz for the solutions of four trihalogenated esters in six non-polar solvents having wide range of viscosities at 35 °C. The static permittivity ε0 at 1 MHz and high frequency limiting permittivity ε∞=nD2 have also been measured at 35 °C. The normalized plots of logτ vs. logη for these esters are linear for non-interacting solvents only. The anomalous behaviour of these solutes in other solvents has been explained in terms of solute-solvent interactions. The distribution parameter α, the free energies of activation ΔFτ, ΔFη and the dipole moment μ of these esters have also been reported.
Derivatographic Studies on Transition Metal Complexes. XVI. Thermal Chelation of Na[CoX(Hedta or Hpdta)] and [CoX(Hgly)en2]X2 (X=Cl− or Br−) Type Complexes in Solid Phase
Authors: Tsuchiya Ryokichi , Manzaki Katsuhide , Sekiya Shigeru , Uehara Akira , Kyuno Eishin 
Published: July 2006

Abstract
Thermal chelation of the following two types of complexes in solid phase was investigated by means of derivatography: Na[CoX(Hedta or Hpdta)] and [CoX(Hgly)en2]X2 (X=Cl− or Br−), where Hedta or Hpdta and Hgly designate quinquedentate ethylenediaminehydrogentetraacetate or propylenediaminehydrogentetraacetate ion and unidentate glycine molecule, respectively. The results show that all the complexes undergo characteristic thermal chelation through the dehydrohalogenation, giving an increase in ligand denticity from five to six in Na[CoX(Hedta or Hpdta)] and one to two in Na[CoX(Hgly)en2]X2. The reaction mechanism in the thermal chelation of each complex in solid phase was discussed in terms of the thermochemical data.
The Polarographic Reduction of [Pd(oxine)2] and [Pd(acac)2] in a N,N-Dimethylformamide Solution
Authors: Hirota Michio , Fujiwara Shizuo 
Published: July 2006

Abstract
Palladium(I) species were produced by the polarographic reduction of palladium(II)–oxinate and –acetylacetonate complexes in a N,N-dimethylformamide solution. These species were unstable and decomposed into electro-inactive species through an irreversible following chemical reaction. The rate constants were obtained from the fundamental and second harmonic AC polarograms, which were obtained at two different frequencies of the AC potential, 55.8 and 173.6 Hz, at 22.5 °C as 5.5±1.0 s−1 for the oxinate complex and as 50±10 s−1 for the acetylacetonate complex.
Reaction of Nickel Ion Fixed on the Ion Exchange Resin with 2-Thenoyltrifluoroacetone
Authors: Ohzeki Kunio , Tamura Tooru , Kambara Tomihito 
Published: July 2006

Abstract
The reaction of nickel ions fixed on the ion exchange resin with 2-thenoyltrifluoroacetone was investigated in various organic solvents. In the presence of pyridine, nickel ions were quantitatively extracted from the resin into the organic phase in the form of the adducts of nickel(II) chelate with pyridine. The synergistic effect of a series of pyridine bases on the removal of the metal ions from the resin decreased in the order : pyridine &gt;γ-picoline&gt;β-picoline&gt;α-picoline.
An Electron Spin Resonance Study of Some Quadridentate Schiff Base Complexes of Copper(II)
Authors: Cookson David J , Smith Thomas D , Pilbrow John R 
Published: July 2006

Abstract
The X-band ESR spectra of a series of quadridentate Schiff base complexes of copper(II) have been examined in frozen xylene and chloroform solutions. Well resolved triplet state spectra were observed both at g ca. 2 and g ca. 4 due to dimeric forms of these complexes which exist in frozen solution. Magnetic and structural parameters have been determined by computer simulation of the triplet state spectra based on a lower than axial symmetry model for the copper(II) pair system.
The Nucleophilic Photo-substitution Reaction of Anthraquinone Derivatives. II. The Mechanism of the Photoamination of Sodium 1-Amino-4-bromoanthraquinone-2-sulfonate
Authors: Inoue Haruo , Nakamura Kenichi , Katô Seijiro , Hida Mitsuhiko 
Published: July 2006

Abstract
The photoamination of sodium 1-amino-4-bromoanthraquinone-2-sulfonate (I) by ammonia or alkylamines in aerated 4 : 1 2-propanol-water was investigated. No effect on the reaction was observed by the addition of Rose Bengal as the addition of the triplet quenchers. The reciprocal of the quantum yield was proportional to the reciprocals of both the partial pressure of oxygen and the concentration of the amine. The peroxide was produced as the photoamination proceeded, and the simultaneous photodecomposition took place in a constant ratio to the photoamination. This reaction scheme for the photoamination of (I) was proposed: the exciplex was formed by the excited (I) (1CT) and the ground-state oxygen, followed by the nucleophilic attack of the amine.
Synthesis of [4-5,4′-5′-Bis(δ-Aminovaleric Acid)]-Gramicidin S
Authors: S\={o}fuku Sh\={o}suke , Muramatsu Ichiro , Okada Kazuki , Hagitani Akira 
Published: July 2006

Abstract
An analog of gramicidin S, [4-5,4′-5′’-bis(δ-aminovaleric acid)]-gramicidin S, was synthesized, in which both of the two residues of d-Phe-l-Pro of gramicidin S (GS) were replaced with δ-aminovaleric acid residues (δAva). The spectra of optical rotatory dispersion (ORD) and circular dichroism (CD) of this analog suggest that its conformation in solution at room temperature is a random structure by comparison with that of GS. This analog has no antimicrobial activity. The linear peptide H-(Val-Orn-Leu-δAva-)2-OH also has no activity and its ORD and CD are nearly the same as those exhibited by the random structure of the polypeptide. These results indicate the importance of the presence of d-Phe-l-Pro in GS for the maintenance of the specific conformation.
α-Thiocarbonyl-stabilized Triphenylphosphonium Ylides: Preparation, Structure, and Alkylation Reactions
Authors: Yoshida Hiroshi , Matsuura Hironori , Ogata Tsuyoshi , Inokawa Saburo 
Published: July 2006

Abstract
A number of α-thiocarbonyl-stabilized ylides II were prepared in moderate yields, and their alkylation reactions were studied. II(H, MeO), II(H, EtO), II(H, i-PrO), and II(H,H) were mixtures of cis and trans isomers, and the IIcis⁄IIItrans ratios were solvent-dependent. II(H, Ph), II(H, Me2N), II(H, MeS), and II(H, EtS) were composed of only cis isomers. All these ylides II with alkyl iodide gave S-alkylation products in good yields.
Determination of Amino Acid Sequence of Peptides by the Combination of Mass Spectrometry and Edman Degradation. Alternate Use of p-Chloro- and p-Bromophenylisothiocyanate Followed by Modification of Shortened Peptide
Authors: Murai Asao , Takeuchi Yoko 
Published: July 2006

Abstract
It was shown that the alternate use of p-chloro- and p-bromophenylisothiocyanate for Edman degradation makes it possible to determine the amino acid sequence of peptides more unambigously by mass spectrometry, i.e., by the doublet molecular ions of phenylthiohydantoin derivatives of amino acids with the intensity ratio inherent to the natural abundance of each halogen atom. The amino acid sequence of the shortened peptide could also be surely determined by the deuterium labeled mixed acylation by shifting the “sequence determining peaks” to higher mass region where no interfering peaks for the interpretation of the mass spectra would appear as well as labeling them as doublets with equal intensities by the distance of 2 mass units. Two examples, a dodecapeptide H–(Pro–Pro–Gly)4–OH, and an octapeptide angiotensin II, were presented.
Stereoselective Synthesis of 1,4,4a,9a-Tetrahydro-9-fluorenone Bearing trans Angular Substituents
Authors: Kusumi Takenori , Imaye Kiyoto , Kakisawa Hiroshi 
Published: July 2006

Abstract
An intramolecular Friedel-Crafts reaction of 2-methyl-1-phenyl-1,2,3,6-tetrahydrophthalic anhydride 6 followed by methylation afforded new types of fluorenones bearing trans angular substituents, 4a-carbomethoxy-trans-9a-methyl-1,4,4a,9a-tetrahydro-9-fluorenone 7 and 3-hydroxy-trans-9a-methyl-9-oxo-1,2,3,4,4a,9a-hexahydrofluoren-cis-4a-carboxylic anhydride 10.
Electric Dipole Moment of Pyrrole and Molecular Interaction in Solution
Authors: Srivastava A N , Joshi V K 
Published: July 2006

Abstract
Literature reports two values for μs/μv namely 1.06 and 0.9 for pyrrole in benzene solution. Our orientation polarisation data on pyrrole discussed in terms of Higasi’s theory favours the former. Further we observe that in benzene the solute forms donor-acceptor complexes, while in carbon tetrachloride it undergoes association through hydrogen bonding.
The Electronic Absorption Spectra of UV Irradiated Anilines Adsorbed on Porous Vycor Glass
Authors: Sakata Tadayoshi , Okai Toshihiro , Sugimoto Hiroaki , Tsubomura Hiroshi 
Published: July 2006

Abstract
Cation radicals of aniline and its derivatives were formed on porous Vycor glass plates by UV-irradiation. One of the absorption bands appearing in the visible region is assigned to the transition to the first excited state of the cation radical by comparison with the reported photoelectron spectrum. The charge resonance band of the dimer cation was also observed in the near infrared region in most cases.
Micellar Effect of Alkylammonium Propionates on Reaction Rate of Keto-Enol Tautomerism in Cyclohexane
Authors: Kon-no Kijiro , Miyazawa Kiyoshi- , Kitahara Ayao 
Published: July 2006

Abstract
The rate of keto-enol transformation of acetylacetone or acetoethyl acetate was spectroscopically measured in the cyclohexane solutions in the presence of primary, secondary or tertiary alkylammonium propionate. The rate was enhanced by micelle formed. The order of effectiveness of the surfactants was that primary&gt;&gt;secondary&gt; tertiary. The order coincides with the number of protons in the ammonium ion of the surfactants and the aggregation number of micelle.
The Solubilities and the Solubility Parameter of Heptasulfur Imide
Authors: Hamada Shuichi , Kudo Yoshiyuki , Kawano Masako 
Published: July 2006

Abstract
The solubilities of heptasulfur imide in eleven organic solvents were measured. The solubility parameter of heptasulfur imide was estimated to be 12.7 at 25 °C from the solubilities and the activity deduded from the enthalpy of the fusion; we assumed the solutions to be regular.
Nitrosylrhodium (14NO and 15NO) Compounds Containing Triphenylphosphine
Authors: Miki Eiichi , Mizumachi Kunihiko , Ishimori Tatsujiro 
Published: July 2006

Abstract
The oxidation states of the NO group and the geometries for the nitrosylrhodium compounds were investigated on the basis of the 15N-isotopic shifts of the N–O stretching vibrations and the frequencies of the Rh–NO stretching ones. RhCl(NO2)(NO)(PPh3)2 was found to react with NO to give RhCl(NO2)2(PPh3)2.
A Theoretical Model for the Hydrogen Migration of Butyl Alcohol
Authors: Takagi Tsutomu , Oiwa Masayoshi 
Published: July 2006

Abstract
The hydrogen-migration mechanism of the fragmentation of n-butyl alcohol in a mass spectrometer is discussed from the standpoint of the bonding interaction energy, as estimated by an all-valence electron semi-empirical SCF-MO treatment (CNDO/2-UHF), assuming the following models I and II:
(Remark: Graphics omitted.)
Finally, Model I is suggested to be energetically favorable.
The Total Synthesis of (±)-Royleanone
Authors: Tachibana Yakudo 
Published: July 2006

Abstract
The total synthesis of (±)-royleanone (I) has been achieved. 5,7,8-Trimethoxy-1-tetralone (III) was converted into (±)-5,7,8-trimethoxy-1-methyl-2-tetralone (VII) via a dihydronaphthalene derivative (IV). The annelation of VII with methyl vinyl ketone gave a (±)-hexahydro-2-oxophenanthrene derivative (VIII), which was then further converted into (±)-11,12,14-trimethoxy-3-oxopodocarpa-5,8,11,13-tetraene (IX). The hydro-genation of IX over platinum oxide gave two dihydro derivatives, (X) and (XI), in a ratio of ca. 1 : 7, these configurations in the A/B ring juncture were identified as trans and cis respectively. Therefore, IX was subjected to thioketalization, followed by desulfurization, to give (±)-11,12,14-trimethoxypodocarpa-5,8,11,13-tetraene (XV). The hydrogenation of XV over 10% palladium on carbon gave (±)-11,12,14-trimethoxypodocarpa-8,11,13-triene (XII), along with a small amount of its cis isomer (XIII). Finally, XII was converted into a hydroxy-1,4-quinone derivative (XIX), which was then treated with isobutyryl peroxide to give (±)-I, whose IR, UV, and NMR spectra were identical in every respect with those of natural royleanone.
The Reaction of N-Phenylsulfonyl Thione S-Imide with Acyl Halides
Authors: Tamagaki Seizo , Sakaki Keishi , Oae Shigeru 
Published: July 2006

Abstract
Thiocarbonyl S-imide of 1,2-dithiole-3-thione reacted with various acyl halides producing the corresponding N-phenylsulfonyl-1,2-benzodithiole-3-imine and elemental sulfur. The reaction was found to proceed via initial acylation on the nitrogen of the imide and was essentially acyl halide-catalyzed with regard to rearrangement.
Cryptate Chemistry. I. The Reaction of Potassium Alkanoates with Alkyl Halides in the Presence of 4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Authors: Akabori Sadatoshi , Ohtomi Michiko 
Published: July 2006

Abstract
Potassium alkanoates reactes with organic halides in the presence of bicyclopolyether (III) in benzene to give esters in high yields.
Diels-Alder Reaction of 2-Methyl-2-cyclohexenone and Substituted Butadienes
Authors: Nagakura Isao , Ogata Haremi , Ueno Masako , Kitahara Yoshio 
Published: July 2006

Abstract
Diels-Alder adducts of 2-methyl-2-cyclohexenone and substituted butadienes were obtained in a high yield in the presence of catalytic aluminum chloride.
Surface Dilational Properties of Adsorbed Monolayers of Aqueous Sodium Dodecyl Sulfate Solutions
Authors: Nakamura Masao 
Published: July 2006

Abstract
The surface pressure relaxation of a freshly formed surface and the surface area creep at a constant surface pressure have been studied for aqueous surface of sodium dodecyl sulfate solutions. It was found that the area stress after the formation of a fresh surface undergoes relaxation according to the generalized Maxwell model, and that the surface area viscosity is not constant during the process but increases with the surface area. The concept of two-dimensional open system rheology was introduced and the observed phenomena were discussed. A surface equation of state applicable under such dynamic conditions has been derived.
Heat Capacity Changes of Alkyl-substituted Ammonium Chlorides in Aqueous Solutions
Authors: Tamaki Kunio , Yoshikawa Satoru , Kushida Mitsuyoshi 
Published: July 2006

Abstract
The changes in the heat capacity for the dissolution in water, ΔCP°, of n-alkylammonium chlorides (methyl to hexyl), di-n-alkylammonium chlorides (methyl to butyl), and tri-n-alkylammonium chlorides (methyl to propyl) at the room temperature were determined from measurements of the relation between the heats of solution of these salts in water and the temperature, and the results were compared with the ΔCP° values for tetraalkylammo-nium salts in the literature. It was found that the effect of the coordination of the charge-bearing nitrogen atom by alkyl groups was definitely reflected in the ΔCP° values. In the cases of MeNH3Cl, EtNH3Cl, Me2NH2Cl, and Me3NHCl, the ΔCP° values are negative, while in the cases of other higher homologues, the ΔCP° values are positive; the increments in the ΔCP° values per methylene group are discussed in terms of the hydrophobic hydra-tion and the steric effect of alkyl chains.
The Determination of the Activity Coefficients of Pb(II), Cd(II), and Zn(II) Chlorides in N,N′-Dimethylformamide by Means of Electromotive-force Measurements of the M(Hg)/MCl2(DMF)/AgCl; Cells
Authors: Saito Makoto , Kanamori Akemi 
Published: July 2006

Abstract
Electromotive-forces have been measured for the cells of the M(Hg)/MCl2(DMF)/AgCl;Ag type at 25.00±0.01 °C, where M are Pb, Cd, and Zn metals and were M(Hg) are amalgams saturated with these metals. The standard potentials of the corresponding metals relative to the silver-silver chloride have been determined, and the mean activity coefficients and the standard free-energies of formation have been calculated for the solvated salts of PbCl2, CdCl2, and ZnCl2 from the electromotive-foce data. Experimental works were carried out by using an H-shaped Pyrex glass cell which was coated externally with silicon grease to eliminate electrical leakage from the water bath. The electromotive-force measurements were made with a digital voltmeter, the voltage sensitivity and the input impedance of which were 10 μV and 100 megohms respectively. The standard potentials for the cells of the M/MCl2(DMF)/AgCl;Ag type were 0.3271 for PbCl2, 0.5762 V for CdCl2 and 0.8986 V for ZnCl2.
The Application of Molecular-flame-absorption Spectroscopy to the Elucidation of Chemical Interferences in Indium Atomic Absorption Spectrometry
Authors: Haraguchi Hiroki , Fuwa Keiichiro 
Published: July 2006

Abstract
The atomic absorption spectrometry of indium was investigated in air-acetylene and nitrous oxide-acetylene flames. The atomic absorptions of indium were significantly interfered by HCl, HClO4, and HBr in both the flames. The chemical interferences can be explained by the formation of diatomic molecules, such as InCl and InBr, the molecular absorption spectra of which were really observed in flames.
N-Halogen Compounds of Cyanamide Derivatives. V. The Preparation and Reaction of Δ4-1,2,4-Thiadiazolines
Authors: Fuchigami Toshio , Odo Keijiro 
Published: July 2006

Abstract
Five new Δ4-1,2,4-thiadiazolines (TDZ), IIa,b, IIIa,b, and IV, were easily prepared by the reaction of potassium methyl cyanoiminodithiocarbonate (I) with N-chloro compounds of O-alkylisoureas, guanidines, and guanylurethane. 2-Methoxyimidoyl-3-imino-5-methylthio-TDZ (IIa), with a reactive imidoether group, was converted into the 2-carbamoyl-TDZ derivative (V) by treatment with excess dry hydrogen chloride. The reaction of IIa with aliphatic amines gave 2-amidino-TDZ derivatives (IIIc–e) in good yields in the presence of both free amines and amine hydrochlorides (molar ratio, 2:1). The mechanism of this amidination was discussed.
The Additions of Acetic Acid to Limonene Catalyzed by Sulfuric Acid
Authors: Yamanaka Tohr 
Published: July 2006

Abstract
The additions of acetic acid (AcOH) to limonene (IV) catalyzed by H2SO4 ((0.367–8.39)×10−2 mol/l), without a solvent, were studied. The mole ratio of IV to AcOH was less than 1: 19, and the reaction temperature was 28.5–92.5 °C. The products were α- and β-terpinyl acetates (I and II), and a mixture of p-menthadienes (III) as isomers of IV. The selectivity for I and II against III was not affected by the amount of H2SO4. The rate constants for I, II, and III were proportional to the amount of H2SO4. The apparent activation energy was 10.9 kcal/mol for I and II, and 13.7 kcal/mol for III. Both the proton concentration and the acidity function (h0) in the reaction medium were regarded as proportional to the H2SO4 concentration. It was concluded that the formations of I and II were related to the A-2-type solvolytic mechanism, while that of III was related to the A-1-type specific hydrogen-ion mechanism.