We present a theoretical investigation on the etching of an Al solid by $SiCl_4$ molecules at a collision energy of 600 eV. The classical trajectory method is employed to calculate Al etching yields, degree of anisotropy, kinetic energy distribution and angular distribution. The calculated results are compared with the reaction of a Cu solid by $SiCl_4$. The major products of the reaction are aluminum monomers and dimers together with considerable quantities of multimers. The Al solid shows better etching yield and better anisotropy than the Cu solid. This is consistent with the problem in the CMOS micro-fabrication of the CuAl and CuAlSi alloys. The relevance of these calculations for the dry etching of CuAl alloy is discussed.

The interaction of tetraphenylphthalic anhydride with o-chlorotoluene under Friedel-Craft condition gives 2-(4-chloro-3-methyl)benzoyl-3,4,5,6-tetraphenyl benzoic acid(1), which on reaction with hydrazine derivatives gave phthalazinones (2a-d). The behaviour of (2a) towards carbon electrophiles and carbon nucleophiles has been investigated. The chlorophthalazinones (4a) also has been synthesized from the action of $PCl_5/POCl_3$ on (2a). The behaviour of (4a) towards nitrogen, and oxygen nucleophiles also have been described.

The temperature dependence of electrical conductivities and thermoelectric power of $I_2$-doped poly(1,4-penylene vinylene-co-2,5-dimethoxy-1,4-phenylene vinylene)s [poly(PV-co-DMPV)] and poly(1,4-phenylene vinylene-co-2,5-thienylene vinylene)s [poly(PV-co-TV)] were studied. The former copolymers were also doped with $FeCl_3$. All the samples used were in thin film forms. The temperature dependence of electrical conductivity implies that the variable range hopping conduction mechanism applises to these systems. The activation energy for the electrical conduction in dimethoxy-phenylene vinylene (DMPV) copolymers ranged from about 7 to 30 meV depending on the polymer composition and the nature of the dopant. It was significantly higher for $I_2$-doped thienylene vinylene (TV) copolymers, namely 90-200 meV. The values of the room temperature thermoelectric power were $30-70{\mu}V/K$ for DMPV copolymer and $100-800{\mu}V/K$ for TV copolymers. Anisotropy in the electrical conductivities was also studied for oriented films obtained by uniaxial stretching of the precursor polymer films.

The crystal structure of $(C_{12}H_{24}O_6{\cdot}K)_2K[Co(OH)_6Mo_6O_{18}]{\cdot}12H_2O$ has been determined by X-ray diffraction. Crystal data as follows ; monoclinic, space group $C_2/m,\;a\;=\;22.512(4)\;{\AA},\;b\;=\;18.304(4)\;{\AA},\;c\;=\;7.641(1)\;{\AA},\;{\beta}\;=\;90.52(2)\;{\AA}$, and Z = 2. A final conventional R value of 0.044 was obtained by least-squares refinement of 4173 independent observed $[{\mid}Fo{\mid}{\geq}3{\sigma}({\mid}Fo{\mid})]$ reflections. The $[Co(OH)_6Mo_6O_}{18}]^{-3}$ polyanion shows the well-known Anderson-structure and has approximate 3m symmetry. A $[Co(OH)_6Mo_6O_{18}]^{-3}$ polyanion is located between two crown ether complexed cations forming a sandwich structure. One potassium ion interacts with the crown ether via electrostatic interactions. The other potassium ion only interacts with the water molecules and terminal oxygen atoms of the polyanion.

The crystal structure of Bithionol, $C_{12}H_6Cl_4O_2S$, has been determined from X-ray intensity data measured by Enraf-Nonius CAD-4 diffractometer using graphite-monochromatized $Mo-K\alpha$ radiation. The crystal data as follows; triclinic space group P{\bar{1}}$, a = 8.879(2), b = 10.782(1), c = 8.511(1)${\AA}$, ${\alpha}$ = 115.43(1), ${\beta}$ = 115.22(1), ${\gamma}\;=\;74.44^{\circ}(1)$. ${\mu}\;=\;9.51\;cm^{-1}$, F(000) = 356, Z = 2. Final R value is 0.036 for independent 2669 observed reflections. Each six-membered benzene rings are coplanar within experimesntal errors and the dihedral angle between these planes is $81.28^{\circ}$ (1). The S-(1) and S-C(7) distances are 1.787(2) and 1.791(3)${\AA}$, respectively.

The condensation of 1-amino-1,2-dihydro-3,6-pyridazinedione (1) and 2-amino-2,3-dihydro-1,4-phthalazinedione (2) with mesityl oxide or 3-penten-2-one in acetic acid-ethanol (1:1) gave 3,4,6,9-tetrahydro-6,9-dioxopyridazino[1,2-a][1,2, 3]triazines (9,11) and 3,4,6,11-tetrahydro-6,11-dioxo[1,2,3]triazino[1,2- b]phthalazines (10,12), respectively. The condensation of 1 and 2 with crotonaldehyde, cinnamaldehyde or acrylaldehyde under the same reaction condition gave only N-alkylidene derivatlives (3-8). When the N-alkylidene derivatives isolated from the reaction of 1 and 2 with crotonaldehyde and cinnamaldehyde (3-6) were refluxed in acetic acid, the corresponding heterocyclic compounds (13-16) were obtained.

The superconducting properties have been studied for high-Tc superconductors of the $Bi_{2-x}Mo_xSr_2Ca_2Cu_3O_y$ system (x = 0.03-0.30). The crystal structure is pseudo tetragonal with the average lattice parameters a = 5.38 ${\AA}$, b = 5.44 ${\AA}$ and c = 30.6 ${\AA}$. All samples exhibit superconductivity with Tc offset at 79 K and Tc onset at 90-115 K. The Tc onset point decreases with increasing x, but the Tc offset points are nearly the same for all samples. Scanning electron micrographs show a special growth behavior of the grains with a plate shape. It is suggested that the decrease in Tc onset points with substitution of Mo for Bi is due to the decrease in lattice parameters and to the p-orbital of Mo. It is concluded that Mo does not play a crucial role in the superconducting transition of the $Bi_2Sr_2Ca_2Cu_3O_y$ system.

By using Pak's theory of liquid, a phenomenological theory of viscosity proposed by the authors is applied to liquids under high pressures. The calculated viscosities for various simple substances are in good agreements with those of the observed values over wide pressure ranges.

We synthesized the novel complexes of (1,1-dimethyl-3,4-diphenyl-1-silacyclopenta-2,4-di ene-2,5-yldibenzene)bis(tricarbonylchromium) and tricarbonyl (R,R'-3,4,5-triphenyl-1-silacyclopenta-2,4-diene-2 -ylbenzene)chromium(R,R' = Me, R = Me/R' = Cl, R = Ph/R' = Cl) from the reaction of the corresponding R,R'-2,3,4,5-Tetraphenyl-1-silacyclopenta-2,4-dien e (abr. R,R'-TPSCp) with chromiumhexacarbonyl. These results reveal that chromium prefer to coordinate to the phenyl substituents of 1-silacyclospentadiene rather than the butadiene moiety of the ring.

The second order ab initio effective valence shell Hamiltonian is calculated for the valence state potential energy curves of NH and $NH^+$. From the potential energy curves various spectroscopic constants of valence states are determined. The results are in good agreement with experiments and configuration interaction calculations. They show the composite picture of potential energy curves and also indicate that the second order effective Hamiltonian theory is adequate for describing various valence states of a molecule and its ions simultaneously.

The rates of electropolymerization of pyrrole from aqueous solutions containing p-toluenesulfonic acid were studied as functions of the concentration of the surfactant anions and of temperature for the polymerization on the electrode surface immersed in the solution and also for the polymerization along the solution surface. In the case of the solution-surface polymerization, the polymerization rate showed maximum as the concentration of the p-toluenesulfonic acid changed at a fixed temsperature or as the temperature was varied at a fixed concentration. The decrease of the polymerization rate with increasing concentration or with rising temperature beyond the values at the maxima is interpreted as resulting from micelle formation.

${\alpha},{\omega}$-Diols react with secondary amines in the presence of a catalytic amount of ruthenium catalyst at $180^{\circ}C$ to give diamino compounds in good to excellent yields. The yield of diamino compound was affected by the molar ratio of ${\alpha},{\omega}$-diol to secondary amine. The reaction is affected by the nature of the phosphorus ligands employed and the effectiveness of the added ligand is completely different depending on the chain length of the ${\alpha},{\omega}$-diol. The reaction between ethylene glycol and primary amine in the presence of a catalytic amount of ruthenium catalyst gave 1,4-disubstituted piperazine.

The gas-phase thermolysis reactions of ${\alpha}$- and ${\beta}$-methylated ethyl formates, Y = $CH-X-CHR_1CH_2R_2$ where X = Y = O or S and $R_1\;=\;R_2$ = H or $CH_3$, are investigated theoretically using the AM1 method. The experimental reactivity order is reproduced correctly by AM1 in all cases. The thermolysis proceeds through a six-membered cyclic transition state conforming to a retro-ene reaction, which can be conveniently interpreted using the frontier orbital theory of three-species interactions. The methyl group substituted at $C_{\alpha}\;or\;C_{\beta}$ is shown to elevate the ${\pi}$-HOMO of the donor fragment (Y = C) and depress the ${\sigma}^{\ast}$-LUMO of the acceptor fragment ($C_{\beta}$-H), increasing the nucleophilicity of Y toward ${\beta}$-hydrogen which in turn increases the reactivity. The two bond breaking processes of the $C_{\alpha}$-X and $C_{\beta}$-H bonds are concerted but not synchronous so that the reaction takes place in two stages as Taylor suggested. The initial cleavage of $C_{\alpha}$-X is of little importance but the subsequent scission of $C_{\beta}$-H occurs in a rate determining stage.

Acid-base equilibria and spectroscopic properties of diazepam and chlorodiazepoxide were investigated in sodium dodecyl sulfate (SDS) micellar solutions as functions of pH. The results were compared with the behaviors in homogeneous aqueous media. The presence of SDS increased the $pK_a$ of chlorodiazepoxide to 6.3 from 4.7, while it has little effect on the $pK_a$ of diazepam. The acidic protonated form of diazepam was moderately fluorescent when the solution was excited at 350 nm, and emissnion intensity of the species was enhanced about 5 fold by the presence of SDS. On the other hand, the acidic solution of chlorodiazepoxide was non-fluorescent, but the neutral solution of the compound was fluorescent upon excitation at 350 nm. The emission peak of the neutral chlorodiazepoxide shifted to shorter wavelength region without significant change in the emission intensity upon the addition of SDS. Procedures for assay of the individual drugs from their mixture by the use of SDS micelle were discussed.

A method is described for the selective functionalization of calix[4]arene at the para positions of the phenyl rings. The diametrically substituted calix[4]arene dimethyl ether 3, obtained from the treatment of calix[4]arene 2 with methyl iodide in the presence of $K_2CO_3$, is converted to the diacetyloxy calix[4]arene dimethyl ether 4. This compound undergoes Fries rearrangement to yield the diametrically p-diacetylcalix[4]arene dimethyl ether 5 in 68% yield.

The reactions of alkanesulfonyl chlorides with pyridines in the presence of various solvents have been studied by means of kinetic method. Alkanesulfonyl chlorides bearing ${\alpha}$-hydrogen with the normal attack of pyridine is found to be at the ${\alpha}$-hydrogen with elimination to form the sulfene intermediate evidently. From the mass spectra by the reaction of ethanesulfonyl chloride with 3-picoline in the presence of methanol-$d_1$, it has shown that the reaction has a witness favorable to the slulfene intermediate.

The nucleophilic substitution reactions of naphthalene-1,5-disulfonyl chloride and 4-fluorosulfonylbenzenesulfonyl chloride with p-substituted anilines and methyl substituted pyridines in methanol-acetonitrile mixtures and hydrolyses of those disulfonyl halides have been studied by means of conductometric and polarographic methods. A large difference in the selective parameter, ${\rho}_N$ between mono-sulfonyl chloride and disulfonyl halide can be taken as an evidence that the second $SO_2Cl$ grolup of naphthalene-1,5-disulfonyl chloride also takes part in the reaction in contrast to sulfonyl fluoride in 4-fluorosulfonylbenzenesulfonyl chloride, which only acts as a substituent in the nucleophilic substitution reaction.