bluuebunny/crossref_metadata_2025_split huggingface dataset:
X-Ray Crystal Structure of Silver(I) Complex with 1,3-Bis(8-quinolylthio)propane
Authors: Yuchi Akio , Shiro Motoo , Wada Hiroko , Nakagawa Genkichi 
Published: July 2006

Abstract
An X-ray crystal structure has been determined for a silver(I) complex with 1,3-bis(8-quinolylthio)propane (BQTP), Ag(BQTP)NO3. Since a conformational sequence of sc-ap-ap-sc, inherently preferred by the S–C–C–C–S back-bone, is kept in the silver(I) complex, BQTP does not coordinate to a single metal ion, but forms polymeric complexes. Crystal data: monoclinic, space group P21/c, a = 27.011(8), b = 7.962(1), c = 20.270(5) Å, β = 110.41(3)°, V = 4086(2) Å3, Z = 8, R = 0.037 for 5211 reflections.
Fluorescence Quenching in {Ln[Fe(CN)6]·nH2O}x (Ln = Eu(III) or Tb(III))
Authors: Sakamoto Masatomi , Matsuki Kimihiro , Ohsumi Rie , Nakayama Yusuke , Matsumoto Akira , Okawa Hisashi 
Published: July 2006

Abstract
Fluorescent properties of cyanide-bridged Ln(III)–Fe(III) complex assemblies, {Ln[Fe(CN)6]·nH2O}x (n = 4 for Ln = Eu; n = 5 for Ln = Tb), have been investigated in solid state in comparison with those of the 1 : 1 mixtures of K3[Fe(CN)6] and LnCl3·6H2O (Ln = Eu, Tb). Fluorescence of Eu(III) and Tb(III) is almost completely quenched in the complexes but little quenched in the mixtures.
Kinetics and Mechanism of the Complex Formation Reactions of Cobalt(II) with Chloride, Bromide, Iodide, and Azide Ions, 2,2′-Bipyridine, 2,2′ : 6′,2″-Terpyridine, and Tris(2-pyridyl)amine in Hexamethylphosphoric Triamide
Authors: Abe Yuriko , Kitamura Naoko 
Published: July 2006

Abstract
The kinetics of the complex formation reactions of cobalt(II) with chloride, bromide, iodide, and azide ions, 2,2′-bipyridine (bpy), 2,2′: 6′,2″-terpyridine (terpy), and tris(2-pyridyl)amine (tpya) has been studied by stopped-flow spectrophotometry in hexamethylphosphoric triamide (HMPA) at a constant ionic strength of 0.06 mol dm−3. The reaction mechanism is discussed on the basis of the obtained formation rate constants, activation enthalpies, and activation entropies. An associative interchange mechanism for the complex formation reaction of cobalt(II) with halide ions is suggested.
Synthesis and Magnetic Property of Imidazolate-Bridged Cu(II)–M(II)–Cu(II) Complexes (M = Zn, Cu, Ni, Co, Mn)
Authors: Matsumoto Naohide , Inoue Keiji , Ohba Masaaki , \\={O}kawa Hisashi , Kida Sigeo 
Published: July 2006

Abstract
A series of imidazolate-bridged trinuclear complexes [Cu(A)M(hfac)2Cu(A)] (M = Zn2+, Cu2+, Ni2+, Co2+, Mn2+) have been prepared, where H2A = 4-(6-methyl-8-hydroxy-2,5-diazanonane-1,5,7-trienyl)imidazole and Hhfac = hexafluoroacetylacetone. The magnetic susceptibility data (4.2–300 K) were well reproduced by the equation based on the spin-Hamiltonian H = −2JCuM (SCu1·SM+SM·SCu2) to give the coupling parameters of JCuCu = −52.5 cm−1 (SCu = 1⁄2), JCuNi = −20.3 cm−1 (SNi = 1), JCuCo = −13.2 cm−1 (SCo = 3⁄2), and JCuMn = −4.5 cm−1 (SMn = 5⁄2).
Optical Resolution by Supercritical Fluid Chromatography Using Polysaccharide Derivatives as Chiral Stationary Phases
Authors: Kaida Yuriko , Okamoto Yoshio 
Published: July 2006

Abstract
The optical resolution of ten racemates by supercritical fluid chromatography (SFC) was investigated using phenylcarbamates of cellulose and amylose and 4-methylbenzoate of cellulose as chiral stationary phases (CSPs) and carbon dioxide–alcohol as a mobile phase. The optical resolving abilities of phenylcarbamates of both cellulose and amylose in SFC were low compared with those in high-performance liquid chromatography (HPLC). However, 4-methylbenzoate of cellulose showed a slightly better optical resolving ability in SFC than in HPLC.
Gas Chromatographic Determination of Solvation Number by an Investigation of the Extraction Processes
Authors: Arpadjan Sonja , Vassileva E , Velev V , Chanev Ch 
Published: July 2006

Abstract
A simple gas chromatographic method for the determination of the solvation number by an investigation of the extraction processes using MIBK as the solvent has been proposed. Gas chromatography was applied for the determination of the solvation number by extraction of the halometallic acids HFeCl4, HMoO2Cl3 in MIBK as well as by extraction of BiCl4− and SbCl4− as ion-associate complexes with long-chain quaternary ammonium salts in MIBK.
Spectrophotometric Determination of Trace Silver with Sodium 2-(8-Hydroxyquinolin-5-ylazo)benzoate
Authors: Saran Nil Raghaw , Umashanker V , Ramanaiah G V 
Published: July 2006

Abstract
The reaction between silver and sodium 2-(8-hydroxyquinolin-5-ylazo)benzoate in aqueous media in presence of Na–K tartrate at pH 5.2–6.1 results in an intense purple color which is stable for at least 24 h. The molar absorptivity and Sandell’s sensitivity at 525 nm are 3.65 × 104 dm3 mol−1 cm−1 and 0.0029 μg cm−2, respectively. The method was applied to the determination of silver in geological samples.
The Stereochemistry of the Sulfur Atom of 4,7-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,2,6-dioxathiazocine 2-Oxides
Authors: Nishiyama Tomihiro , Miyatake Shinji , Yamaguchi Hiromasa , Yamada Fukiko 
Published: July 2006

Abstract
The reaction of N-(2-hydroxypropyl)-N-(2-hydroxy-1-methylethyl)aniline with thionyl chloride afforded four isomers of 4,7-dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,2,6-dioxathiazocine 2-oxide. Oxidation of the four isomers by the use of KMnO4 yielded two kinds of sulfates. On the basis of the coupling constants and γ-effects, the stereochemical structures of the dioxathiazocine 2-oxides are discussed.
Preparation and Isomerization of 3,4-Bis(2,4,6-tri-t-butylphenylphosphinidene)cyclobutenes
Authors: Toyota Kozo , Tashiro Katsuya , Yoshifuji Masaaki , Nagase Shigeru 
Published: July 2006

Abstract
(E,E)- and (E,Z)-3,4-Bis(2,4,6-tri-t-butylphenylphosphinidene)cyclobutenes were prepared by desilylation reaction of the corresponding 1,2-bis(trimethylsilyl)cyclobutenes or by thermal isomerization reaction of 1,6-bis(2,4,6-tri-t-butylphenyl)-1,6-diphospha-1,2,4,5-hexatetraene. Optimized structures and total energies of various parent compounds C4H4P2 were calculated by ab initio method and the effect of steric congestion on the valence isomerization is discussed.
A New Bromo Diterpene, epi-Aplysin-20, and ent-Isoconcinndiol from the Marine Mollusc Aplysia kurodai
Authors: Ojika Makoto , Kigoshi Hideo , Yoshikawa Kohji , Nakayama Yoshisuke , Yamada Kiyoyuki 
Published: July 2006

Abstract
A New brominated labdane-type diterpene, epi-aplysin-20, and ent-isoconcinndiol have been isolated from the marine mollusc Aplysia kurodai: the structure of epi-aplysin-20 has been established on the basis of the spectroscopic data and chemical transformation.
Organic Synthesis Using Haloboration Reaction. XXI. A Synthesis of Prostaglandin B1 Methyl Ester by the Stepwise Cross-Coupling Reaction Using (E)-(2-Bromoethenyl)diisopropoxyborane
Authors: Hyuga Satoshi , Kara Shoji , Suzuki Akira 
Published: July 2006

Abstract
A prostaglandin B1(PGB1) analog and PGB1 methyl ester were synthesized by the palladium-catalyzed stepwise cross-coupling reaction of (E)-(2-bromoethenyl)diisopropoxyborane with (1-methoxy-1-hexenyl)zinc chloride and 3-bromo-2-cyclopenten-1-one derivatives. According to this method, the skeleton of PGB1 is prepared by the one-pot operation without isolation of any intermediates.
Structural Features of (CH3)2Si(C5H4)2Fe2(CO)3(C=NR) and (CH3)2Si (C5H4)2Fe2(CO)2(C=NR)2
Authors: Nakanishi Saburo , Taniki Yasushi , Otsuji Yoshio 
Published: July 2006

Abstract
The structure of isonitrile substituted diiron carbonyl complexes, (CH3)2Si(C5H4)2Fe2(CO)3(C=NR) (1) and (CH3)2Si(C5H4)2Fe2(CO)2(C=NR)2 (2) (R = t-butyl, cyclohexyl, and bornyl), in solution was studied by IR and NMR spectroscopy using variable-temperature and 2D NMR technique.
Attempted Transformation of 2,3,5,6-Tetrachloro-4,4-dimethoxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione toward Pentaprismane Retaining Chloro Group
Authors: Singh Vishwakarma , Furusaki Akio , Jaime Carlos , Matsumoto Takeshi , Osawa Eiji 
Published: July 2006

Abstract
An attempt towards synthesis of homohypostrophene derivative, 1,2,6,8-tetrachloro-7,7-dimethoxytetracyclo[6.3.0.02,6.05,9]undeca-3,10-diene from 2,3,5,6-tetrachloro-4,4-dimethoxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione is described.
Detection of Pitting on Cast Iron with AC Impedance Spectroscopy
Authors: Zhou Guo-Ding , Feng Yiqi , Fujishima Akira , Loo Boon H 
Published: July 2006

Abstract
The pitting behavior of high-chromium cast iron has been studied with AC impedance spectroscopy. When impedance measurements are carried out at open circuit potentials, it is observed at the initial stage of pitting that with increasing time, the polarization resistance R decreases for the better pitting resistant specimen, and increases for the poorer one. However, when the electrode potential is suitably fixed during the measurements, the R value shows an abrupt decrease at the initial stage for the sample with a poorer pitting resistance. This large change in the R value indicates the initiation of the pitting process and thus can be used for detecting such onset.
Volumetric and Thermal Behaviors of Water Uptaken in Superabsorbent Polymer
Authors: Manabe Masahiro , Ito Tetsuya , Kawamura Hideo , Kinugasa Takumi , Watanabe Kunio , Kagimoto Hisao 
Published: July 2006

Abstract
For the water uptaken in a superabsorbent polymer gel (Sumikagel) bearing polar groups (–COONa and –OH), the partial molar volume, heat of fusion, and melting point, have been determined over a wide region of water content, from water-free to a saturated state. The results indicate that the region can be classified into three characteristic parts. In the lowest water content region, the –COONa forms a monohydrate in the solid state. In the next region, the primary hydration of both groups and the dissociation of –COONa occur. In both regions the water is antifreezing. In the highest content region, secondary and higher hydration occurs; the hydrated water is freezing, and the so-called free water appears.
Hydrogen Bonding in Inclusion Complexes of Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin with Chlorophenols in Organic Solvents
Authors: Hamai Sanyo 
Published: July 2006

Abstract
Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (TMβCD) has been found to form inclusion complexes with p- and m-chlorophenol in organic solvents such as cyclohexane. In the inclusion complex, the guest p- or m-chlorophenol incorporated into the TMβCD cavity is hydrogen bonded to the host TMβCD. The equilibrium constants for the formation of the inclusion complexes of p- and m-chlorophenol with TMβCD in saturated hydrocarbons are an order of magnitude greater than those in water. The finding that the −ΔS values for the formation of the inclusion complex in saturated hydrocarbons are significantly greater than those in water suggests a rigid inclusion-complex structure which is reinforced by the hydrogen bond between the guest and TMβCD in saturated hydrocarbons.
Anion-Selective Field-Effect Transistor Sensor Using RF-Sputtering Film of Alkali Metal-Free Lead Phosphate Glass Containing Silver Oxide
Authors: Nomura Tsuyoshi , Masui Kanji 
Published: July 2006

Abstract
New ion-selective field-effect transistors (ISFET) for an anion responsive type probe are described. The gate surface of the ISFET was coated by radio-frequency sputtering with an alkali metal-free phosphate glass containing silver oxide. This ISFET responded to S2O32−, SCN−, I−, NO2−, SO32−, and Cl−, but not to NO3−, ClO3−, SO42−, and HPO42−. A radiation damage of sputtering products is generated in the dielectric layer and at the interface of the gate channel, and the static characteristics of the glass coated ISFETs were used to evaluate the radiation damage. Optimal RF sputtering gas composition, dc floating bias from anode to substrate, RF power density, and sputtering time were argon 90%/oxygen 10%, −70 V, 0.88 W cm−2, and up to 4 h, respectively.
Effect of Inhibitors on Azo-Reduction of 4′-Dimethylaminoazobenzene-2-carboxylic Acid by Clostridium Diaphorase
Authors: Yatome Chizuko , Fujimi Kazuhiko , Ogawa Toshihiko 
Published: July 2006

Abstract
The effect of inhibitors on the azo-reduction of 4′-dimethylaminoazobenzene-2-carboxylic acid (DMABC) by Clostridium diaphorase together with β-nicotinamide adenine dinucleotide, reduced form (NADH) has been investigated. The reduction was inhibited by o-aminobenzoic acid which is a reduction product of DMABC. Lineweaver–Burk plots indicated that o-aminobenzoic acid was a competitive inhibitor with respect to DMABC (Ki = 10.5 × 10−3 mol dm−3). Various monosubstituted benzoic acid derivatives were also competitive inhibitors, among which o-hydroxybenzoic acid was most effective.
Oxidative Substitution Reactions of Organostannyl Compounds with Lead Tetraacetate. A Convenient Route to 5-Alkylidene-2(5H)-furanones
Authors: Yamamoto Makoto , Munakata Hiroshi , Kishikawa Keiki , Kohmoto Shigeo , Yamada Kazutoshi 
Published: July 2006

Abstract
5-Substituted 2-tributylstannylfurans which were synthesized by the reaction of corresponding 5-substituted 2-lithiofurans with tributylstannyl chloride, were treated with two equimolar amounts of lead tetraacetate at room temperature to give corresponding 5-substituted 5-acetoxy-2(5H)-furanones in good yields. The 5-acetoxy-2(5H)-furanone was heated at 80 °C in acetic acid-acetic anhydride containing a catalytic amount of concentrated sulfuric acid to give 5-alkylidene-2(5H)-furanone in moderate yield.
Effects of Electron-Withdrawing Substituents on Bond Alternations in Pentalene and Heptalene
Authors: Kataoka Masahiro , Nakajima Takeshi 
Published: July 2006

Abstract
The bond alternations in pentalenes and heptalenes substituted by electron-withdrawing groups are studied by use of the Pariser–Parr–Pople–type SCF CI MO method and the symmetry rule for substituted conjugated hydrocarbons. The influence of electron-withdrawing substituents on geometrical structures of pentalene and heptalene markedly depends on the attached positions. The 2- and 5-substitutions in pentalene and the 1-, 3-, 5-, 6-, 8-, and 10-substitutions in heptalene increase the amount of positive charge and, at the same time, relax the bond alternations in the parent molecules. This relaxation correlates with the amount of the positive charge in the pentalene and heptalene skeletons. The large amount of positive charge brings about the stabilization of the delocalized structures. The critical values of positive charge for the existence of bond alternations are smaller than the unit positive charge. The substitutions at the other sites in both molecules are anomalous in the sense that they increase the amount of the positive charge but reinforce the bond alternations.
Reaction of Olefins with Dimethyl(methylthio)sulfonium Salts in the Presence of Triphenylphosphine. Preparation of Vinylphosphonium Salts
Authors: Okuma Kentaro , Koike Tetsufumi , Yamamoto Shin-ichi , Takeuchi Hiroshi , Yonekura Kazuki , Ono Masaaki , Ohta Hiroshi 
Published: July 2006

Abstract
Olefins were effectively converted into the corresponding (2-methylthioalkyl)triphenylphosphonium salts by the reaction with dimethyl(methylthio)sulfonium salts in the presence of triphenylphosphine. 2-Triphenylphosphonioalkyldimethylsulfonium salts, synthesized by alkylation of the corresponding methylthiophosphonium salts, react with 1,8-diazabicyclo[5.4.0]undec-7-ene or aq NaOH to afford the corresponding vinylphosphonium salts or vinylphosphine oxides in good yields.
N,N′-Di(8-quinolyl)glutaramide Exhibiting Highly Selective and Efficient Uphill Transport of Cu(II) through Liquid Membranes
Authors: Hiratani Kazuhisa , Kasuga Kazuyuki , Hirose Takuji , Taguchi Kazuhiro , Fujiwara Kyoko 
Published: July 2006

Abstract
N,N′-Di(8-quinolyl)glutaramide has been found to be an excellent Cu(II) carrier in the transport through a chloroform liquid membrane. It can selectively and efficiently transport Cu(II) from a weakly acidic aqueous solution containing Cu(II), Zn(II), Ni(II), and Co(II). Several N,N′-di(8-quinolyl)glutaramide derivatives and their analogues have been prepared for comparison of this transport ability, which largely depends not only upon the structure of the carriers, but also upon the transport conditions.
1H and 13C NMR Spectral Behavior and Isomerism in 7,12-Dimethyl-, 2,7,12-Trimethyl-, and 7,12,15-Trimethyl-8,10-bisdehydro[15]annulenones
Authors: Yamamoto Gaku , Higuchi Hiroyuki , Yamamoto Hiroyuki , Ojima Juro 
Published: July 2006

Abstract
Configurational and conformational isomerism in the bisdehydro[15]annulenones were studied in CDCl3 and CF3CO2D–CD2Cl2 solutions by 1H NMR spectroscopy. The 7,12-dimethyl compound with the initial “all-E” configuration isomerized in both media at ambient temperature to give an equilibrium mixture of isomers but the trimethyl derivatives retained their original configuration under the similar conditions. The charge distribution in the deuterated species was discussed on the basis of the 13C NMR spectra.
Structural Studies of Arylazo(α,α-dimethylbenzyl)malononitriles. Evidence against the Correlation between Bond Length and Reactivity in Bond Cleavage Reactions
Authors: Mitsuhashi Tsutomu , Yamamoto Gaku , Goto Midori , Kondo Yasuhiko 
Published: July 2006

Abstract
The X-ray structures of phenylazo(α,α-dimethylbenzyl)malononitrile and its p-MeO and p-NO2 derivatives were determined to examine the relationship between reactivity and ground state geometry. Although the rate of C–C bond heterolysis increases in the order p-MeO &lt; H &lt;&lt; p-NO2, neither systematic elongation of the C–C bond nor indication of other geometrical changes due to the interaction between the σ orbital of the bond and the π system of an arylazo group was observed on going from p-MeO to p-NO2. The results provide evidence against Kirby’s proposal of a direct relationship between reactivity and bond length, and support Arnett’s view that the stability of heterolysis products is not reflected in the bond length.
Preparation of a Lipid-Coated Lipase and Catalysis of Glyceride Ester Syntheses in Homogeneous Organic Solvents
Authors: Okahata Yoshio , Ijiro Kuniharu 
Published: July 2006

Abstract
A lipid-coated lipase was prepared by mixing aqueous solutions of lipase and dialkyl amphiphiles: A hydrophilic surface of the enzyme is covered with a lipid layer, of which lipophilic two-long-alkyl tails solubilize the enzyme in hydrophobic organic solvents. The lipid-coated lipase was prepared in various conditions by changing hydrophilic head groups of lipid molecules, a ratio of lipid/lipase, and an origin of lipase; the complex prepared from nonionic amphiphiles and lipase D from Rhizopus delemar showed a high stability and a high enzymatic activity in hydrophobic organic solutions. The lipid-coated lipase catalyzed di- and triacylglycerol syntheses from monoacylglycerols and aliphatic acids in the homogeneous and dry benzene solution in the presence of two pieces of molecular sieves (water: 80 ppm). The lipid-coated lipase could also catalyze ester exchange reactions in organic solvents with a small amount of water (250 ppm). Enzymatic activity was affected by a nature of organic solvents and a water content in organic solvents. The catalytic activity of the lipid-coated lipase was highly efficient compared with other enzyme systems such as the poly(ethylene glycol)-grafted lipase and the direct dispersion of lipase powder for glyceride syntheses in the dry organic solution.
Radical-Based Synthesis of Terpenoids. Stereoselectivity in the Trapping of Radicals from Cyclization of 3-(1-Ethoxy-2-haloethoxy)cyclohexenes
Authors: Nagano Hajime , Yamada Keiko , Hazeki Noriko , Mori Yukie , Hirano Tsuneo 
Published: July 2006

Abstract
Stereoselectivity in the intermolecular trapping of the bicyclic radical intermediates from cyclization of 3-(1-ethoxy-2-haloethoxy)cyclohexenes with methyl acrylate was found to be affected remarkably by the conformation of the radical intermediates. The optimized conformers of 8-methoxy-7-oxabicyclo[4.3.0]non-2-yl radicals, models for the radical intermediates, were obtained by PM3 RHF molecular orbital calculations, and the stereoselectivity was analyzed in detail.
Estimation of the Mechanism of Fused Aromatic Hydrocarbon Formation in Sooting Flames by Molecular Orbital Method
Authors: Sakaguchi Keizo , Fukutani Seishiro 
Published: July 2006

Abstract
Formation mechanism of fused aromatic hydrocarbons in a methane–air diffusion flame was investigated theoretically and experimentally. The reactivity of hydrocarbons taking part in the formation route was evaluated by means of the ab initio calculation of the molecular orbitals. The reactions of the formation route are classified into two groups: Reactions increasing the number of carbon atoms of hydrocarbon molecules and aromatic ring formation. The former reactions further consist of three steps: An attack of a hydrogen atom at a certain position of a hydrocarbon molecule, addition of an acetylene molecule at that position, and dehydrogenation. The position of the large frontier electron density is chosen as the reacting point of the first step. The formation of an aromatic ring can take place when the HOMO of the hydrocarbon and the LUMO of acetylene overlap each other. The above estimation gives the following reaction route of fused aromatic hydrocarbons in methane flames: acetylene → 1-buten-3-yne → benzene → ethynylbenzene → naphthalene → acenaphthylene, or naphthalene → 1-ethynylnaphthalene → phenanthrene. The predicted route was also supported by experimental results.
Simple Relationships between Coulson–Longuet–Higgins Polarizabilities in Linear Chains
Authors: Isihara Makoto 
Published: July 2006

Abstract
This paper describes general consequences of the hypervirial condition upon Coulson–Longuet–Higgins polarizabilities in the simple Hückel model of linear chains. The condition is put into the form of a tractable formula by introducing the modified polarizability; many simple relationships between polarizabilities are obtained through the formula. The relationships are often instructive conceptually, reflecting some characteristics of the Hückel model of linear chains, besides being helpful for numerical estimation of polarizabilities.
Temperature and Pressure Effects on the Reversible Reaction of a Parent Phenol (GH) Corresponding to Galvinoxyl with Aliphatic Amines
Authors: Nishimura Norio , Iga Siroh , Satoh Masahiro , Yamamoto Shunzo 
Published: July 2006

Abstract
The effects of temperature and pressure on the reversible reaction between GH and aliphatic amines in acetonitrile have been studied spectrophotometrically. The formation of free ions rather than that of ion pairs has been confirmed by the modified Benesi-Hildebrand (B–H) plot. From the plot the equilibrium constants were estimated. From the temperature dependence of the equilibrium constant (K), the heat and entropy of reactions were estimated to be: (ΔH°)av = −44.5 kJ mol−1, and (ΔS°)av = −193 J K−1 mol−1. From the pressure dependence of K the reaction volume (ΔV°)av was estimated to be −40 dm3 mol−1. When unbranched primary amines were used, a side reaction took place for which an explanation has been given.
ESR Spectra of Some Allene Radicals in Low-Temperature Matrices
Authors: Kubozono Yoshihiro , Ujita Hiroki , Okada Makoto , Ata Masafumi , Matsuda Yoshihisa , Gondo Yasuhiko 
Published: July 2006

Abstract
ESR spectra of the radicals of allene (1,2-propadiene) derivatives generated by 60Co γ-ray irradiation in halocarbon matrices have been observed at low temperatures. The geometrical structures of the radicals have been determined from the experimental ESR spectra and with the aid of semiempirical MO calculations invoking the UHF-AM1 and UHF-MNDO methods. After exposure of the allene derivatives to 60Co γ-ray in some halocarbon matrices at 77 K, the temperature raising gave rise to neutral radicals such as allylic and/or deprotonation-type radicals; these thermal reactions have been investigated in detail.