bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cationic Self-Diffusion in Ionic Plastic Phases of Thallium Nitrite and Nitrate and in Thallium Thiocyanate
Authors: Furukawa Yoshihiro , Nagase Hirokazu , Ikeda Ryuichi , Nakamura Daiyu 
Published: July 2006

Abstract
Cationic self-diffusion in the ionic plastic phases of TlNO2 and TlNO3 was investigated by measuring temperature dependences of the 203,205Tl NMR spin-lattice relaxation time and the electrical conductivity. The NMR results snowed that the Tl+ ions in these phases undergo rapid translational diffusion with the activation energy (Ea) of 48 and 77 kJ mol−1 for nitrite and nitrate, respectively. The Ea values agreed well with those obtained from the electrical conductivity, indicating that the cation is the electric carrier. The diffusion constants (D) estimated from the relaxation time and conductivity data were ca. 10−12 m2 s−1 at the respective melting point (Tm) of plastic phase. The tendency that D at Tm has the characteristic value given above is recognized for other ionic plastic phases so far reported. The Tl+ ionic conductivity in TlSCN, which makes no plastic phase, was reported in comparison.
Theoretical Study of Phenalenium Systems
Authors: Ghosh Biswanath , Ghosh Debranjan , Das Gupta Archana , Das Gupta Nanda K 
Published: July 2006

Abstract
Phenalenium systems have been studied using PPP method modified by Dewar et al. Ground state properties and other properties such as π*←π spectra, ionization potential, electron affinity, half-wave reduction potential, pi-dipole moment have been predicted and correlated with experimental ones where available. Stability and resonance energy have also been discussed.
Solvatochromism and Prototropism in 2-(Aminophenyl)benzothiazoles
Authors: Dey Joy Krishna , Dogra Sneh K 
Published: July 2006

Abstract
The absorption and fluorescence spectra of 2-(2-aminophenyl)-, 2-(3-aminophenyl)-, and 2-(4-aminophenyl)benzothiazoles (o-APBT, m-APBT, and p-APBT, respectively) have been studied in different solvents and at various acid/base concentrations. The ultraviolet and fluorescence spectra and the low pKa value for the monocation–neutral equilibrium have indicated the presence of an intramolecular hydrogen bond (IHB) in o-APBT in the S0 state. Excited state intra-molecular proton transfer (ESIPT) in o-APBT, gives rise to a non-fluorescent phototautomer. Large solvatochromic shifts in polar solvents have indicated the increase in the dipolemoment of m-APBT in S1 state. It has been observed that in protic solvents, m-APBT forms a complex with solvent molecule in the S1 state. The equilibrium constants for different prototropic equilibria of the molecules have been determined in both S0 and S1 states. The absorption and fluorescence spectra of the prototropic species have been explained and compared with those of 2-phenylbenzothiazole (2-PBT). The monocation (2) of p-APBT, formed by protonation at the –NH2 group is found to undergo structural reorganization leading to a quinonoid structure (2′). The absorption and fluorescence excitation spectra (recorded at 390 nm and 460 nm fluorescence bands) indicate the simultaneous presence of species (2) and (2′), the former being more favorable in protic and the latter in nonpolar solvents. The molecular orbital calculation (PPP) has been used to calculate the absorption spectra and the charge densities at the basic centers of the neutral molecules.
Viscometry of Isothermal Urethane Polymerization
Authors: Reji John , Ravindran P , Neelakantan N R , Subramanian N 
Published: July 2006

Abstract
The viscosity values of Indian Space Research Organization’s (ISRO) hydroxyl terminated polybutadiene (HTPB) at various temperatures, the isothermal viscosity changes during the curing reaction of ISRO–HTPB with dlisocyanatotoluene (TDI) with and without catalyst and with a filler, calcium carbonate have been studied. The effect of temperature on this curing reaction is determined. The viscosity–time profile has shown an anomalous behavior and an explanation is put forward on the basis of polyurethane–HTPB, TDI mixture interaction. The viscosity–time profiles are drawn using normalized coordinates, which is helpful to compare the relative viscosity build up over relative periods.
Interaction of Urea with p-Nitrophenol
Authors: Das Gupta Prabhat K , Moulik S P , Das A R 
Published: July 2006

Abstract
Urea(U) can abstract H+ ion from p-nitrophenol (PNP) forming a hydrogen bonded ion pair (proton-transfer complex PNP− ···H+U) of 1 : 1 stoichiometry with a formation constant 0.42 at 303 K. Infrared spectral measurements of the uronium phenolate and uronium nitrate have supported that the proton transferred from PNP is attached to the oxygen center of the amide. The needle shaped light yellow urea–PNP adduct is fairly stable under ordinary conditions decomposing at 398 K. The standard free energy, enthalpy, and entropy of formation determined from spectrophotometric and calorimetric methods have been found to be 3.62 kJ mol−1, −13.30 kJ mol−1, and −57.5 J mol−1 K−1, respectively at 303 K.
High-Performance Liquid Chromatographic Determination of Components in Eye Lotion Using Methoxy(3-morpholinopropyl)silanediyl Modified Silica Gel Column
Authors: Akiyama Shuzo , Nakashima Kenichiro , Yamada Kyoko , Shirakawa Nanako 
Published: July 2006

Abstract
A recently developed column packing material, methoxy(3-morpholinopropyl)silanediyl modified silica gel, was successfully applied to the separation and determination of components (pyridoxine, flavin adenine dinucleotide, cyanocobalamin, chlorpheniramine, naphazoline, and neostigmine) in an eye lotion, in a single analysis by a single buffer elution with UV detection.
Preparation of Optically Active Sulfoxides Bearing Heterocycles and Stereoselective Methylation Using Their α-Sulfinyl Carbanions
Authors: Sagae Takahiro , Ogawa Satoshi , Furukawa Naomichi 
Published: July 2006

Abstract
Optically active sulfoxides bearing heterocycles i.e., (1-methyl-2-imidazolyl)methyl and 2-thienylmethyl groups were prepared and their stereoselective methylations were conducted.
O-Ethoxycarbonyl Hydroximoyl Chloride as Nitrile Oxide Precursor
Authors: Shimizu Tomio , Hayashi Yoshiyuki , Furukawa Nobuhiro , Teramura Kazuhiro 
Published: July 2006

Abstract
O-Ethoxycarbonyl hydroximoyl chloride serves as a stable precursor for nitrile oxide and is converted into the 1,3-dipole when heated under reflux in pyridine.
Nickel-Catalyzed Epoxidation of Olefins with NaOCl
Authors: Yamazaki Shigekazu , Yamazaki Yasuyuki 
Published: July 2006

Abstract
Nickel complexes of bidentate heterocyclic amines such as 2,2′-bipyridine and 1,10-phenanthroline have been found to be active catalysts for the epoxidation of olefins with hypochlorite as terminal oxidant. Nickel complex of 1-methylimidazole which is monodentate ligand also indicated epoxidation ability.
Chemical Oxidation of Tetra-t-butylphthalocyanine and Its Complexes with Cobalt(II), Nickel(II), Copper(II), and Zinc(II)
Authors: Mu Ping , Nakao Tadahiro , Handa Makoto , Kasuga Kuninobu , Sogabe Kunihisa 
Published: July 2006

Abstract
While the title compounds were oxidized by NOBF4, DDQ only oxidized the cobalt(II) and zinc(II) complexes in dichloromethane. To confirm their chemical oxidation, a cyclic voltammetry was measured.
Effect of Solvents and Acridine on Dibenzothiophene Hydrodesulfurization
Authors: Nagai Masatoshi 
Published: July 2006

Abstract
A selective poisoning pattern was observed for the hydrodesulfurization of dibenzothiophene on the sulfided Mo/Al2O3 catalyst in the presence of acridine and the solvents xylene and tetralin, using a microreactor at 270–340°C and 10.1 MPa total pressure.
Addition Effect of NaF on the Deodorant Efficiency of an Iron Phthalocyanine Derivative
Authors: Enmanj Koe , Nishiyama Itsuo , Takahashi Kenzo , Sanoh Muneharu 
Published: July 2006

Abstract
A low temperature ESR spectrum shows that Fe(III) of an iron phthalocyanine derivative treated with NaF takes a high spin state. The deodorant efficiency of the derivative treated with NaF is three times higher than that without NaF treatment.
Femtosecond–Picosecond Laser Photolysis Studies on Reduction Process of Excited Benzophenone with Tertiary Aromatic Amines in Acetonitrile Solution
Authors: Miyasaka Hiroshi , Morita Kazuhiro , Kamada Kenji , Nagata Toshihisa , Kiri Manabu , Mataga Noboru 
Published: July 2006

Abstract
Photoreduction processes of benzophenone (BP)-N,N-diethylaniline (DEA) system in acetonitrile solution were studied by means of femtosecond–pecosecond laser photolysis and time resolved transient absorption spectroscopy. The reaction processes including the formation of geminate ion pairs (IP) by electron transfer (ET) between BP* and DEA at encounter followed by intra-IP proton transfer giving the ketyl radical (BPH·) were clearly observed in both triplet and singlet excited state, while the IP produced by excitation of the CT complex between BP and amine formed easily in more or less concentrated solutions did not give BPH·. In addition to the detailed investigations on the BP-DEA system, we made comparative studies on BP–tertiary aromatic amine systems including N,N-diethyl-p-toluidine, N,N-dimethylaniline, and N-methyldiphenylamine. We observed clearly the characteristic tendency that the proton transfer rate in the 3IP decreased with decrease of the oxidation potential of the amine. This result was interpreted as due to the increase of the inter-ionic distance in the 3IP with increase of the free energy gap for the charge separation at encounter.
Synthesis of 2,6-Dihydronaphth[1,2,3-cd]indol-6-ones
Authors: Arai Sadao , Yamauchi Sigeaki , Yamagishi Takamichi , Hida Mitsuhiko 
Published: July 2006

Abstract
The reaction of 1-aminoanthraquinone with benzyl chloride in KOH-DMSO system afforded 3,11b-dibenzyl-2-phenyl-2,3,7,11b-tetrahydroanthra[1,9-de][1,3]oxazin-7-one (5; 78% yield), whose structure was determined by single-crystal X-ray diffraction. The reaction of compound 5 with aluminium chloride gave 1-phenyl-2,6-di-hydronaphth[1,2,3-cd]indol-6-one (52% yield) having strong fluorescence.
Asymmetric Dipolar Cycloaddition of Nitrile Oxides to the α,β-Unsaturated Esters Bearing an Imidazolidine Chiral Controller at the β-Position
Authors: Kanemasa Shuji , Hayashi Takashi , Yamamoto Hidetoshi , Wada Eiji , Sakurai Tosio 
Published: July 2006

Abstract
Some α,β-unsaturated esters bearing an imidazolidine chiral controller at the β-position were employed in the asymmetric cycloaddition to nitrile oxides. Regio- and diastereoselectivities were both poor when the chiral controller was a perhydropyrrolo[1,2-c]imidazol-3-yl auxiliary, while the reaction of the esters bearing a C2-symmetric imidazolidine chiral controller was exclusively regioselective or diastereoselective depending upon the nature of N-substituent. The transition state was briefly discussed.
Silicon Effects. III. Rates and Products for Solvolysis of α-(Penta-methyldisilanyl)benzyl Halides and 1,1,2,2-Tetramethyl-1,2-disilaindan-3-yl Chloride. Structure and Stability of α-(Pentamethyldisilanyl)benzyl Cation in Solution
Authors: Shimizu Nobujiro , Kinoshita Chieko , Osajima Erika , Hayakawa Fumie , Tsuno Yuho 
Published: July 2006

Abstract
Detailed kinetic and product studies have been made on solvolysis of α-(pentamethyldisilanyl)benzyl halides (1a-X; X=Cl and Br) and 1,1,2,2-tetramethyl-1,2-disilaindan-3-yl chloride (2-Cl) in various solvents. The solvolysis of 1a-X at 25°C is characterized by (1) a complete 1,2-SiMe3 rearrangement in the products, (2) m (sensitivity to the solvent ionizing power Yx) values of 0.98 (X=Cl) and 0.91 (X=Br) for the solvolyses in aq acetone, (3) α-deuterium isotope effects of 1.167 and 1.163 for 1a-Cl in 97% aq 2,2,2-trifluoroethanol (TFE) and 40% aq ethanol respectively, and (4) substituent effect expressed by a Yukawa–Tsuno LArSR equation: logk⁄kH=−3.71 (σ°+1.16 Δ\barσR+) for the solvolysis of 1a-Cl and the p-Me, m-Me, p-Cl, and m-Cl derivatives in 40% aq ethanol. These findings are consistent with kc mechanism. The relative rates for 1a-Br, α-(trimethylsilyl)benzyl bromide, and α-(t-butyldimethylsilyl)benzyl bromide are 1.07×105 : 0.54 : 1.0 in 97% aq TFE at 25°C indicating solvolytic generation of α-(pentamethyldisilanyl)benzyl cation to be ca. 7 kcal mol−1 energetically more favorable than that of the corresponding α-(trialkylsilyl)benzyl cations. In contrast, 2-Cl solvolyzes 0.209 times less rapidly than does 2,2-dimethyl-2-silaindan-l-yl chloride in 97% aq TFE indicating that a β-Si-Si σ bond orthogonal to the leaving group does not enhance the rate of ionization at all.
Preparation of New Nitrogen-Bridged Heterocycles. 27. First Syntheses of 1,3-Thiazino[6,5-b]indolizine Derivatives
Authors: Kakehi Akikazu , Ito Suketaka , Sakurai Tosio , Urushido Kunio , Isawa Hidetoshi , Enomoto Manabu 
Published: July 2006

Abstract
Potassium 2-indolizinethiolates, generated in situ from the treatment of dialkyl 2-[(2-ethoxycarbonylethyl)thio]indolizine-1,3-dicarboxylates with potassium t-butoxide in N,N-dimethylformamide, reacted smoothly with various isothiocyanates and isocyanates with the elimination of alkoxide ions to give new heterocyclic compounds, alkyl 4(3H)-oxo-2-thioxo- and 2,4(3H)-dioxo-2H-1,3-thiazino[6,5-b]indolizine-10-carboxylates, in moderate to good yields. The structures of these l,3-thiazino[6,5-b]indolizine derivatives were determined mainly by elemental analyses and spectral inspections, and the structural assignment was finally confirmed by the single crystal X-ray analyses of two compounds.
Neighboring Effect of a Carbonyl Group in Base-Induced Wittig-Type Rearrangements of Poly(4-nitrobenzyloxy)tropones to Bis- and Mono(α-hydroxy-4-nitrobenzyl)tropones
Authors: Yin Bing Zhu , Mori Akira , Takeshita Hitoshi 
Published: July 2006

Abstract
The base-catalyzed rearrangement of bis- and tris(4-nitrobenzyloxy)tropones gave (α-hydroxy-4-nitrobenzyl)tropones through a Wittig-type mechanism. Only the 4-nitrobenzyloxy group adjacent to the carbonyl group migrated. The carbonyl group played a role in facilitating the rearrangement by chelation with the sodium on the adjacent carbanion.
Preparation of Ultrafine Particles of Copper by Reduction in a W/O Emulsion System
Authors: Itoh Hiroyuki , Miura Moto-o , Okamoto Reoki , Kikuchi Eiichi 
Published: July 2006

Abstract
Ultrafine particles (UFP) of Cu were prepared by reduction in a w/o emulsion system, in which Cu(II) ions dissolved in aqueous droplets were reduced by a reducing agent. This method gave a very narrow particle size distribution. Moreover, the average size of UFP could be controlled by choosing the concentration of Cu ions.
Cadmium (53P1)-Photosensitized Luminescence of Some Aliphatic Diamines
Authors: Yamamoto Shunzo , Sueishi Yoshimi , Nishimura Norio 
Published: July 2006

Abstract
The cadmium(53P1)-photosensitized luminescence of some aliphatic diamines was studied by a steady-illumination method at temperatures between 230 and 330°C. It was found that 1,2-ethylenediamine, N,N,N′,N′-tetramethyl-1,2-ethylenediamine, 1,3-propanediamine, and N,N,N′,N′-tetramethyl-1,3-propanediamine have two emission bands (wavelengths at the peaks of these bands are about 450 and 550 nm), while N,N,N′,N′-tetramethylmethanediamine, N,N′-dimethylpiperazine, and triethylenediamine have only a short-wavelength band. From the temperature and pressure dependences of the emission intensities of the two bands, it had been concluded previously that these bands could be assigned to two kinds of 1 : 1 exciplexes between an excited cadmium atom and a diamine molecule. From the temperature dependence of the equilibrium constants between the two exciplexes which had been obtained from the ratio of the emission intensities of the two bands, the enthalpy and entropy changes of the equilibrium were evaluated. The cyclic exciplexes assigned to the long-wavelength band have smaller enthalpies and entropies than do the noncyclic exciplexes assigned to the short-wavelength band.
Acid-Promoted Oxidations of an NAD(P)H Model with Hydrogen Peroxide and Molecular Oxygen
Authors: Tamagaki Seizo , Mimura Takashi , Tagaki Waichiro 
Published: July 2006

Abstract
The HClO4-catalyzed H2O2- and O2-oxidations of a dihyropyridine in acetonitrile were mechanistically investigated; the H2O2-oxidation under nitrogen followed a heterolytic course to yield the corresponding pyridinium salt along with a monooxygenated product, while the O2-oxidation produced the pyridinium salt and H2O2 via a radical-chain pathway in which H2O2 is not only merely the product but also an initiator.
Synthesis of Naphth[1,2,3-cd]indol-6(2H)-one Derivatives and Their Fluorescence Properties
Authors: Arai Sadao , Yamauchi Shigeaki , Moriya Yuriko , Tanaka Tei-ichi , Yamazaki Yoko , Inoue Haruo , Yamagishi Takamichi , Hida Mitsuhiko 
Published: July 2006

Abstract
Highly fluorescent 1-phenylnaphth[1,2,3-cd]indol-6(2H)-one (3b) and its 7-chloro and 7-amino derivatives were synthesized by reaction of 1-aminoanthraquinones with benzyl chloride in KOH–DMSO system, followed by treatment with aluminium chloride. The compound 3b was easily N-alkylated with various alkyl halides in KOH–DMSO system. The fluorescence quantum yields (Qf) of naphth[1,2,3-cd]indol-6(2H)-one derivatives 3 were high (0.5–0.7), except for 7-amino derivatives which did not fluoresce. The Qf of 7-chloro derivative (3d) was strongly dependent on solvent: 0.37 in ethanol; 0.02 in acetonitrile; 0 in benzene. The compounds 3 were demonstrated to be efficient laser dyes for 500–550 nm region.
Mechanistic Study of the Hydrogenation of Carbon Dioxide to Methanol over Supported Rhenium and Copper–Zinc Catalysts
Authors: Xu Zheng , Qian Zaihu , Hattori Hideshi 
Published: July 2006

Abstract
The reaction of a mixture containing 13CO, CO2, and H2 was carried out in order to elucidate the reaction mechanisms of carbon dioxide hydrogenation to methanol over supported Re catalysts as well as Cu–Zn oxide catalysts. The reactions of formic acid and formaldehyde with hydrogen were also examined. From the incorporation of 13C in the product methanol, it could be distinguised whether the carbon dioxide hydrogenation to methanol proceeds through formation and successive hydrogenation of CO or by direct hydrogenation of CO2. Methanol is formed almost exclusively by direct hydrogenation of CO2 over CuO–ZnO based catalysts. However, the two reaction routes operate over Re/ZrO2 and Re/CeC2, the contribution of route via CO being higher over Re/ZrO2 than over Re/CeO2. The reactions of formic acid and formaldehyde with hydrogen suggest that the surface formate and the adsorbed formaldehyde are involved in the methanol formation, and that the conversion of the formate to the adsorbed formaldehyde is a key step.
Spin-Lattice Relaxation Time Measurements of Ions and Water Molecules Containing Spin 1 Nuclei in Lyotropic Liquid Crystalline Systems
Authors: Iida Masayasu , Tracey Alan S 
Published: July 2006

Abstract
The Jeener–Broekaert pulse sequence was applied to the 14N and 2H NMR measurement for studying the dynamic behavior of ions (ammonium and nitrate ions) and water molecules, respectively in lyotropic nematic liquid crystal solutions. The results showed that, in all cases except for the ammonium ion in alkaline solutions, the water molecules and the ions measured gave NMR spectra with properties characteristic of extreme narrowing conditions.
The Magnetic Properties of the 2-Pyridone Adducts of Copper(II) Benzoates and Related Copper(II) Compounds
Authors: Emori Shuji , Suenaga Hiroyuki , Goto Naomi 
Published: July 2006

Abstract
The 2-pyridone adducts of copper(II) benzoate, copper(II) 2-pyridinolate, and bis(adenme)copper(II) sulfate were prepared, and then characterized by means of magnetic susceptibility and IR spectroscopy. Their magnetic properties were correlated with the basicities and coordinate-bond lengths of the bridging ligands.
A Facile Reduction of Certain Schiff Bases with Di- and Trichlorosilanes
Authors: Okamoto Hidenori , Kato Shozo 
Published: July 2006

Abstract
The reduction of N-[(3-methoxy-2-thienyl)methylene]-2,6-dimethylaniline (2) by use of trichlorosilane proceeded smoothly in the presence of a catalytic amount of BF3·Et2O. The trichlorosilane/BF3·Et2O combination was applicable to the reduction of various Schiff bases. In the case of dichlorosilane, the reduction of 2 proceeded with a 90% yield without any catalysts.
Asymmetric Reduction of Carbon–Carbon Double Bonds of Conjugated Enones with Fermenting Bakers’ Yeast
Authors: Sakai Takashi , Matsumoto Syuji , Hidaka Syukou , Imajo Norihisa , Tsuboi Sadao , Utaka Masanori 
Published: July 2006

Abstract
Bakers’ yeast reduction of α-substituted or β,β-disubstituted α,β-unsaturated ketones gave saturated chiral ketones with excellent optical purity, while the β,β-disubstituted derivative remained intact.
SH2′ Type Reactions of Arenesulfonyl Chlorides with Allylic Compounds Catalyzed by a Ruthenium(II) Complex
Authors: Kamigata Nobumasa , Ishii Kimiko , Ohtsuka Takeshi , Matsuyama Haruo 
Published: July 2006

Abstract
In the presence of a catalytic amount of dichlorotris(triphenylphosphine)ruthenium(II), the reactions of arenesulfonyl chlorides with allyl phenyl sulfide and allyl phenyl selenide proceeded smoothly to give allyl phenyl sulfone in high yield as well as the corresponding diphenyl disulfide or diphenyl diselenide. An SH2′-type mechanism involving the arenesulfonyl radical is proposed.
Reactivity of Alkaneselenenyl Bromide: Conversion of Alcohols into the Corresponding Alkyl Bromides with Dialkylselenium Dibromide
Authors: Akabori Sadatoshi , Takanohashi Yoshinori 
Published: July 2006

Abstract
The reaction of alcohols with dialkylselenium dibromide gave the corresponding bromides in moderate to high yields. Alkaneselenyl bromide, produced by the thermal decomposition from dialkylselenium dibromide, acts as a brominating agent. The reaction of alcohols with dialkylselenium dichloride also afforded the corresponding chlorides, although the yields were relatively low compared with those of the bromide.
Photochemistry of Substituted 2-Benzoylcyclohexanones
Authors: Hasegawa Tadashi , Yang Yiming , Yoshioka Michikazu 
Published: July 2006

Abstract
The photoreactivities of substituted 2-benzoylcyclohexanones were distinguished as three different types; 1) the exclusive Norrish Type II cleavage when there were no alkyl groups on the 2- nor on the ortho-position, 2) the benzoyl group shift from the 2- to the 4-position when an alkyl group was present on the 2- and not on the ortho-position, and 3) 1,2,3,4,4a,9a-hexahydro-9(10H)-anthracenone derivative formation when an ortho-methyl group was present.
Comparison of the Temperature and Location Dependence of 1H and 13C NMR Shifts between Saturated 1,3- and 1,2-Diamines Coordinated to Low-Spin Tetracyanoferrate(III)
Authors: Kuroda Yoshitaka , Goto Masafumi , Sakai Tomoya 
Published: July 2006

Abstract
The temperature dependence of the 1H NMR for low-spin iron(III) complexes, [FeIII(CN)4(1,3-diamine)]−, with 1,3-propanediamine, (2R,4S)-2,4-pentanediamine, and (2R,4S)-2,4-pentanediamine were measured at 323–183 K. The coordinated amine segment, Fe–N(HN)2-C(Hα)2–C(Hβ)2, resonated in the following magnetic field regions at 323–183 K: Hαax, 7.2–20.5; Hβax, 10.8–35.0; Hβeq, 23.9–65.7; Hβmethyl, 1.8–9.9 ppm. All of the 1H signals moved in the downfield direction with a decrease in the temperature, and exhibited a non-Curie behavior. The HN shifts at 300 K were 110–279 ppm. The temperature and location dependence of the isotropic shift (δiso) for the 1H and 13C nuclei were accounted for by the combination of Fermi contact and dipolar contributions. The Fermi constants and spin populations were estimated for the 1H and 13C nuclei. Not only the spin polarization mechanism, but also a direct mechanism, were suggested for spin propagation from the FeIII to the respective atoms.