The near-IR spectra of thioacetamide were recorded for the investigation of hydrogen bonding between thioacetamide (TA) and N,N-dimethylalkylamides (DMF, DMA, DMP) in chloroform over the range of 5$^{\circ}C$ to 55$^{\circ}C$. The ${\nu}_{\alpha}$ + amide II combination band has been resolved into contributions from monomeric TA, 1:1 hydrogen bonded complex and 1:2 complex by the parameterized matrix modeling method. The association constants ($K_c$) of the complex have been obtained at various temperatures and used to determine the thermodynamic parameters for the hydrogen bonding by the usual Van't Hoff method. It was found that N,N-dimethylalkylamide forms less stable hydrogen bonded complex with TA in chloroform than in carbon tetrachloride.

Polyaniline perchlorate (PAP) was synthesized by the chemical oxidation of aniline using ferric perchlorate as a strong oxidant. The electrical conductivity of PAP was measured at temperatures from - 170 to 25$^{\circ}C$. It is suggested from the conductivity measurements that the conduction mechanism for PAP is a polaron hopping conduction. From the dependence of resistivity on the reciprocal temperature, the activation energy was computed to be 0.072 eV. From the comparison of the ESR parameterks and conductivity at 25$^{\circ}C$ for the polyaniline-based conducting polymers, the conductivities of PAP, PATFB and PATS increase with increasing ${\Delta}H_{pp}$, decreasing A/B ratio and decreasing g-value, respectively. It is shown by TGA results for PAP, PATFB and PATS that the maximum weight loss rates (Pr) are 0.185 (at 269$^{\circ}C$ ), 0.366 (at 324$^{\circ}C$) and 0.23 mg/min (at 338$^{\circ}C$), respectively.

To find out a correlation between antibacterial activity and physical properties of 7-substituted 1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, dipole moments, charge distributions, and hydrophobicities were calculated. The atomic charges and the dipole moments to not give any correlations with inhibition of DNA gyrase, but the calculated hydration free energies show some correlations.

$YBa_2Cu_{3-x}Ni_xO_{7-{\delta}}$, with x = 0.05, 0.2, 0.4, 0.7 and 1.0 had been prepared by the thermal decomposition of corresponding nitrates. Among them, the sample with x = 0.05 shows above-liquid-$N_2$ temperature superconductivity with $T_c$ of 88.7K. According to the X-ray diffraction analysis, its crystal symmetry was estimated as orthorhombic with the lattice parameters of a = 3.866${\AA}$, b = 3.893${\AA}$, c = 11.715${\AA}$. The chemical composition of the sample was determined by electron probe microanalysis and the chemical composition around its grain boundaries was carefully studied by the X-ray line scanning technique. From the observed binding energy of Ni-$2p_{3/2}$ orbital electron (B.E. = 853 eV) measured by X-ray photoelectron spectroscopy, the valency state of nickel stabilized in $YBa_2Cu_{2.95}Ni_{0.05}O_{7-{\delta}}$ oxide lattice could be determined to be Ni(II).

We have synthesized several bicyclic heteroaromatic compounds with bridgehead nitrogen from N-amine salts of heteroaromatic amines. 2-Amino and 2-unsubstituted thiazolo[3,2-b][l,2,4]triazole derivatives 2a-b were prepared by the cyclization reaction from N-amine salts of aminothiazole-5-yl(N-methoxyimino)acetate with cyanogen bromide and formamidine acetic acid salt, respectively. 2-Methylthiazolo[3,2-b][1,2,4]triazole 2c was obtained from N-acetylated N-amine salt of aminothiazole-5-yl(N-methoxyimino)acetate by the cyclization reaction in the presence of polyphosphoric acid (PPA). 2-Substituted and 2-unsubstituted thiazole[3,2-b][1,2,4]triazole derivatives 2a-c were coupled with 7-aminocephalosporanic acid (7-ACA). Coupled cephalosporin derivatives 1a-c did not have good antibacterial activities in vitro.

Yttrium oxysulfide incoporated with europium has been prepared by direct heating the mixture of $Y_2O_3,\;Eu_2O_3,\;NaOH(or\;Na_2CO_3)$, and S. The reaction of the mixture at low temperatures and treatment at higher temperatures are studied. The formation of $Y_2O_2S$ is completed at lower temperature (ca. 500$^{\circ}C$) and incorporation of $Eu^{3+}$ into $Y_2O_2S$ lattice proceeds at higher temperature (above 1000$^{\circ}C$) along with crystal growth. Small amount of the unknown phase considered to be $Y_2O_2S_2$ is formed along with $Y_2O_2S$ in the temperature range from 400$^{\circ}C$ to 460$^{\circ}C$.

The kinetics of thermnal cis-trans isomerization reaction of 1-bromopropene(1-BP) was studied at temperatures from 620.8 to 753.15 K over the pressure range 0.17-50.3 Torr. Both the inhibition effect by cyclohexene or propene and the catalytic effect by HBr showed a radical process as the main mechanism of the isomerization. In the suppression of the radical process by the inhibitors, the molecular process also contributed to overall reaction rate. The reactions demonstrated the first order kinetics under both uninhibited and inhibited conditions and could be represented by the expressions (R = 1.987 cal/mol/K) $k_{un}/s^{-1} = (3.45{\pm}1.50){\times}10^{11}$exp$[(- 48100{\pm}2000)/RT]\;k_{ink}/s^{-1} = (2.98{\pm}1.40){\times}10^{12}$exp$[(- 55800{\pm}1800)/RT]$> where $k_{un}$ is the observed rate constant of cis-1-bromopropene(1-B$P_c$) to trans-1-bromopropene(1-B$P_t$) under uninhibited condition at initial pressure of 50 Torr and $k_{ink}$ is the rate constant under maximal inhibition by cyclohexene. The ratio of rate constants for bromine atom elimination from the allylic hydrogen of reactant(1-BP) and from the inhibitors, propene and cyclohexene, were measured from the observed rates of the uninhibited and inhibited reactions. The inhibition efficiencies of cyclohexene and propene were compared kinetically from the rate constants and shown to give good agreement with the previous results reported from other alkyl bromide pyrolyses.

Fourier transform infrared spectroscopy has been applied to the characterization of titania surface. The bands due to surface OH groups were observed to be more intense in the reduced titania than in the oxidized titania. The IR spectra of CO adsorbed on titania exhibited two C-O stretching bands, namely at 2187 and 2209 cm$^{-1}$. The intensities were stronger in the oxidized titania.The 2187 cm$^{-1}$-peak was attributed to CO coordinated to $Ti^{4+}_{5c}$ (subscriptindicates the coordination number of the coordinatively unsaturated cation by oxygen ions), while the 2209 cm-1-peak due to the $Ti^{4+}_{4c}{\cdots}$CO complex.

Activation parameters of the exchange between two types of glycinate groups in (nitrilotriacetato)dioxovanadate(V) ion, $[VO_2(NTA)]^{2-}$, have been determined as the results of $^{13}C$ NMR measurements over a range of temperatures between 277 and 306$^{\circ}K$. The exchange mechanism is proposed on the basis of the chelate ring opening-closing process, assuming rupture of the metal-oxygen (glycinate) bond trans to V = O bond to give a five-coordinated intermediate.

Two types of new silica catalysts modified with benzenesulfonic acid derivatives were prepared by esterification or phenylation followed by sulfonation. Both catalysts thus prepared were tested as acid catalysts for 2-propanol dehydration and cumene dealkylation reactions. B catalyst () were more active than A catalyst (). Highter catalytic activity for B catalyst may be accounted for by higher resistance to water, higher acid strength, more acidity, and better thermal stability as compared with A catalyst.

Three binary ion-exchange isotherms of zeolite A have been determined using 0.1 M solutions of the aqueous nitrates for the one-step preparation of particular mixed-cation zeolite A compositions. Analyses were done primarily by flame emission spectrometry (FES), together with crystallographic determinations of $Cs^+$ and colorimetric determinations of $NH_{4^+}$. Corrections for a presumed impurity of extra-lattice species in powder sample were made for the determination of $Na^+$. The $Cs^+-Ag^+$ isootherm indicates a strong selectivity for $Ag^+$ through the entire range of zeolite composition. The $Ag^+-Na^+$ isotherm agrees very closely with that reported by Sherry and Walton, and that of $NH_{4^+}-Na^+$ resembles those obtained using zeolite pellets.

The dabsylation of amino acids has been applied to resolve their optical isomers with the use of chiral mobile phase in high performance liquid chromatography. The dabsyl amino acids were successfully separated on reversed phase column($C_{18}$) by adding a chiral L-benzylproline-Cu(II) chelate to the mobile phase. The separation selectivity of the dabsyl amino acid enantiomers was not less than that of dansyl amino acids. The retention order of the dabsyl amino acid enantiomers was as those of the dansyl amino acid enantiomers except dabsyl threonine. The optical selectivity of the dabsyl amino acids increase with pH of the mobile phase and concentration of the chelate, but slightly decreases with concentration of buffer and organic solvent composition. However serine, methionine, valine, and leucine showed a slight decrease in the optical selectivity with increase in pH. The retention times of the dabsyl amino acids decreases with increasing pH and acetonitrile concentration but increases with the concentration of the chiral chelate added. The mechanism of the optical resolution is based on a stereospecific interaction including a intramolecular hydrophobic effect and SN-2 reactivity of the ligand exchange chromatography.It is advantageous to detect absorption at 436 nm, which is less interferent them the other detection systems. The derivatized dabsyl amino acids are stable for a month.

A series of copolymers of poly(1,4-phenylenevinylene-co-2,3,5,6-tetramethyl- 1,4-phenylenevinylene), poly(PV-co-TMPV), were prepared in film forms from the precursor polymer films. The sulfonium salt precursor polymers were synthesized by copolymerization of the mixtures of the respective bis(sulfonium salt) monomers. All of the copolymer films could be doped with $FeCl_3$ to have high electrical conductivities and they showed good air stability. The maximum conductivity of the $FeCl_3$-doped films ranged $10^{-3}\;to\;10^2Scm^{-1}$ depending on the composition of the copolymer films. However, these copolymer films could not be doped with iodine. The coplanarity of PV and TMPV units in the main chain appears to be affected by steric effect of the methyl groups in the TMPV units.

Various substituted benzal chlorides are converted into alkyl phenylacetates ($ArCH_2COOR$) under CO atmosphere on reaction with a catalytic amount of Fe(CO)$_5$, a base, and an alcohol. The optimum conditions are found as atmospheric pressure of CO, 40$^{\circ}C$, potassium hydroxide as base, and medium of alcohol.

Fully optimized MNDO molecular orbital calculations are described for N-nitroso-aziridine (I), -oxaziridine (II), and -dioxaziridine (III). The ground state geometries show the nonplanar configuration around the imino nitrogen. The nitroso group rotational energy barriers are 3.25, 0.43 and 1.18 kcal/mol for I, II and III, respectively. Also the calculated aziridine ring inversion barriers are 3.98, 15.61 and 27.46 kcal/mol for I, II and III, respectively.

Cholesteryl aniline ($C_{33}H_{51}N$) is monoclinic, space group $P2_1$, with a = 9.020(3), b = 6.000(1), c = 27.130(9)${\AA},\;{\beta} = 98.22(2)^{\circ}$, Z = 2, Dc = 1.06 g/cm$^3$ and Dm = 1.04 g/cm$^3$. A diffraction data set was collected with Mo-$K_{\alpha}$ radiation (${\lambda} = 0.7107 {\AA}$) on a diffractometer with a graphite monochromator to a maximum 2${\theta}$ value of 50$^{\circ}$, by the ${\omega}-2{\theta}$ scan technique. The coordinates of the non-hydrogen atoms and their anisotropic temperature factors were refined by full-matrix least-squares methods to final R of 0.058. In cholesteryl group, bond distances were normal except in tail part, where high thermal vibration resulted in apparent shortening of the C-C distances. The crystal structure consists of bilayers of thickness $d_{001} = 27.13 {\AA}$, in each of which there is the tail to tail arrangement of molecules aligned in the unit cell with their long axes approximately parallel to the [104] axis. The two halves of the double layer are related to each other by the screw axis.

Template condensation reaction of diethylenetriamine, ethylenediamine, methylamine, and formaldehyde in the presence of Ni(II) or Cu(II) ion yields new saturated hexaaza macrobicyclic complexes $[Ni(C)]^{2+}\;and\;[Cu(C)]^{2+}$, where C is 8-methyl-1,3,6,8,10,13-hexaazabicyclo[11,2,1]hexad ecane. The macrobicyclic complexes contain one 1,3-diazacyclopentane ring and one methyl pendant arm in the ligand C and have square planar geometry with 5-6-5-6 chelate ring sequence. Synthesis, characterization, and the properties of the macrobicyclic complexes are described.

Primary and secondary ${\alpha}$-deuterium kinetic isotope effects are determined with deuterated aniline nucleophiles in the nucleophilic substitution reactions of benzyl benzenesulfonates and 1-phenylethyl benzenesulfonates in acetonitrile at 30.0^{\circ}C. The $k_H/k_D$ values support our previous conclusions regarding the transition state structures proposed for the two reactions based on the cross-interaction constants ${\rho}_{ij}$; the former is a typical $S_N2$ reaction whereas in the latter the four-center transition state may be involved.

In order to elucidate conformational properties of bilayer semiflexible amphiphile molecules, we derive a expression of free energy separation with respect to bilayer width, and segment density profiles on the basis of cubic lattice model. Our result shows that at the moderate surface coverage region (i.e., ${\sigma}$ < 0.35), bilayer system tends to have thermodynamically favorable bilayer width corresponding to free energy minimum condition resulting from the major contribution of attractive interaction between chain segments. However such a favorable bilayer width do not occur in the region of high surface converage (i.e., ${\sigma}$> 0.4) where repulsive interaction between chain segments is considered to be dominant.

A phenomenological theory of viscosity which has been proposed by authors is applied to liquid metals for which the calculation is a severe test for liquid theories. The thermodynamic properties used in the calculations can be obtained by using the Roulette liquid theory. The calculated values of the viscosities for liquid metals are in good agreements with the observed values.

Fifty eight obsidian artifacts and four obsidian source samples have been analyzed by instrumental neutron activation analysis. Artifact samples have been classified into classes by unsupervised learning techniques such as eigenvector projection and nonlinear mapping. The source samples have thereafter been connected to the classes by the supervised learning techniques such as SLDA and SIMCA so as to characterize each class by possible source sites. Some difference attributable to different nonlinear mapping techniques and the elemental effects on the separation between classes have been discussed.

2,5-Disubstituted tetrahydrofurans 11-13 were prepared by phenylselenoetherification of 1-alkyl-4-phenyl-(3E)-butenols 8-10 under kinetic conditions. Their stereochemical outcome and reactivity were controlled by solvent, reaction temperature and the alkyl substituent. While the cyclization was stereorandom in dichloromethane, its stereoinduction was moderate to good in propionitrile and good to excellent in diethyl ether. The reaction went to completion in dichloromethane and propionitrile, but it did not in diethyl ether. The results can be rationalized by the degree of reversibility in the formation of episelenonium cation and 1,3-diaxial interactions in the transition state of the formation of tetrahydrofuranonium cation.

The normal and fluorinated high-Tc superconducting materials, $YBa_2Cu_3O_{7-x}F_y$with $0.25{\leq}x{\leq}0.55\;and\;0.00{\leq}y{\leq}0.30$, were synthesized to investigate the dopping effect of fluorine atom on the superconductivity of Y123 and studied by X-ray diffraction analysis and electron probe microanalysis, resistivity and thermopower measurements, and polarized micro-Raman spectroscopy. The reproducible micro-Raman spectra were recorded and analyzed. The coherent assignments could be suggested for the spectra of normal and fluorinated samples. The fluorine atoms introduced were found to be substituted for oxygen in pyramidal Cu-O units rather than in Cu-O chains. The unit cell parameters were decreased upon the substitution of oxygen by fluorine atom. From the decreasing cell parameters and Tc, the increasing thermopower, and the possible assignments of the vibrational modes, it could be suggested that the dopping of fluorine atom localizes the superconducting electrons in Y123.

A ternary Zintl phase material of the formula $K_2Ga_2Sb_4$ has been prepared directly from reaction of the elements following a high temperature procedure. The compound consists of potassium ions and planar ribbons of $(Ga_2Sb_4^{-2})_{\infty}$ consisting of five membered $[Ga_2Sb_3]$ rings bridged by Sb atoms. The variable temperature specific resistivity measurements show the material to be an intrinsic semiconductor.