A calculation method of the dipole moments for square planar and tetrahedral complexes by the valence bond method has been developed and an example calculation was carried out choosing the square planar and tetrahedral $[M(Ⅱ)N_2Se_2]$ type complexes. The calculated values of the dipole moments by the valence bond method are higher than those of the approximate orbital method. We found that we may predict the geometric structure of the transition metal complexes comparing the calculated values of the dipole moments with the experimental values. A new method for definition of C' parameter has also developed on the basis of extended Huckel theory.

Tetrachlorocyclopropene has been prepared smoothly by the dehydrochlorination of pentachlorocyclopropane which could be obtained easily from sodium trichloroacetate and trichloroethylene in 1,2-dimethoxyethane. By the reaction of aromatic hydrocarbons with tetrachlorocyclopropene and aluminium chloride, new substituted phenyltrichlorocyclopropene derivatives have been prepared. The structures of these compounds were characterized by means of spectroscopic methods.

The rate of the bromine-exchange reaction between gallium bromide and n-propyl bromide in 1,2,4-trichlorobenzene and in nitrobenzene was measured at 19, 25 and $40^{\circ}C$, using n-propyl bromide labelled with Br-82. The results indicated that the exchange reaction was second order with respect to gallium bromide and first order with respect to n-propyl bromide. The third-order rate constant determined at $19^{\circ}C$ is $2.9{\times} 10^{-2}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$ in 1,2,4-trichlorobenzene and $4.5{\times}10^{-3}l^2{\cdot}mole^{-2}{\cdot}sec^{-1}$. in nitrobenzene. The activation energy, the enthalpy of activation and the entropy of activation for the exchange reaction were also determined. Reaction mechanism for the bromine exchange of n-propyl bromide seemed to be similar to those observed in earlier studies with other alkyl bromides.

The significant structure theory of liquids has been successfully applied to the sodium ammonia solution. In applying the theory to sodium ammonia solution, we assumed there were four species in solution, i.e., sodium cation, solvated electron, triple ion, and free electron and equilibria existed between them. Based on these assumptions, we set up the model explaining the anomalous properties of sodium ammonia solution. The partition function for sodium ammonia solution is composed of the partition functions for the above four species and also for the Debye-Huckel excess free energy term. Agreements between calculated and experimental values of the thermodynamic quantities, such as molar volume, vapor pressure, partial molar enthalpy and entropy, and chemical potential as well as viscosity are quite satisfactory.

(1) The flow data of f (stress) and ${\dot{s}$ (strain rate) for Fe and Ti alloys were plotted in the form of f vs. -ln ${\dot{s}$ by using the literature values. (2) The plot showed two distinct patterns A and B; Pattern A is a straight line with a negative slope, and Pattern B is a curve of concave upward. (3) According to Kim and Ree's generalized theory of plastic deformation, pattern A & B belong to Case 1 and 2, respectively; in Case 1, only one kind of flow units acts in the deformation, and in Case 2, two kinds flow units act, and stress is expressed by $f={X_1f_1}+{X_2f_2}$where $f_1\;and\;f_2$ are the stresses acting on the flow units of kind 1 and 2, respectively, and $X_1,\;X_2$ are the fractions of the surface area occupied by the two kinds of flow units; $f_j=(1/{\alpha}_j) sinh^{-1}\;{\beta}_j{{\dot{s}}\;(j=1\;or\;2)$, where $1/{\alpha}_j\;and\;{\beta}_j$ are proportional to the shear modulus and relaxation time, respectively. (4) We found that grain-boundary flow units only act in the deformation of Fe and Ti alloys whereas dislocation flow units do not show any appreciable contribution. (5) The deformations of Fe and Ti alloys belong generally to pattern A (Case 1) and B (Case 2), respectively. (6) By applying the equations, f=$(1/{\alpha}_{g1}) sinh^-1({\beta}_{g1}{\dot{s}}$) and $f=(X_{g1}/{\alpha}_{g1})sinh^{-1}({\beta}_{g1}{\dot{s}})+ (X_{g2}/{\alpha}_{g2})\;shih^{-1}({\beta}_{g2}{\dot{s}})$ to the flow data of Fe and Ti alloys, the parametric values of $x_{gj}/{\alpha}_{gj}\;and\;{\beta}_{gs}(j=1\;or\;2)$ were determined, here the subscript g signifies a grain-boundary flow unit. (7) From the values of ($({\beta}_gj)^{-1}$) at different temperatures, the activation enthalpy ${\Delta}H_{gj}^{\neq}$ of deformation due to flow unit gj was determined, ($({\beta}_gj)^{-1}$) being proportional to , the jumping frequency (the rate constant) of flow unit gj. The ${\Delta}H_{gj}\;^{\neq}$ agreed very well with ${\Delta}H_{gj}\;^{\neq}$ (self-diff) of the element j whose diffusion in the sample is a critical step for the deformation as proposed by Kim-Ree's theory (Refer to Tables 3 and 4). (8) The fact, ${\Delta}H_{gj}\;^{\neq}={\Delta}H_{j}\;^{\neq}$ (self-diff), justifies the Kim-Ree theory and their method for determining activation enthalpies for deformation. (9) A linear relation between ${\beta}^{-1}$ and carbon content [C] in hot-rolled steel was observed, i.e., In ${\beta}^{-1}$ = -50.2 [C] - 40.3. This equation explains very well the experimental facts observed with regard to the deformation of hot-rolled steel..

Various $3{\alpha}$, $5{\alpha}$-cyclocholestan-6${\beta}-yl$ ethers were synthesized from solvolysis reactions of cholesteryl tosylate. ${3\alpha}$, $5{\alpha}$-Cyclocholestan-6${\beta}-yl$ sulfides were the sole products when cholesteryl tosylate was solvolyzed in thiol solvents. Diol solvolysis products were derivatized to aromatic esters, and nuclear magnetic resonance spectroscopic method was used to show that aromatic rings can approach C-18 methyl group and the side chain.

The photocycloaddition reaction of 8-methoxypsoralen with purine and/or pyrimidine bases is studied as a model for the charge transfer interactions of psoralens with DNA bases by the FMO method. The results indicate that, in the case of the molecular complex formation between psoralens and purine and/or pyrimidine bases, the most probable photocycloaddition should occur in the following order: Thy (5,6)<>(3,4) 8-MOP, Cyt(5,6)<>(3,4)8-MOP, Ade (7,8)<>(3,4)8-MOP, Gua(7,8)<>(3,4)8-MOP. The theoretical results for the photocycloaddition reaction are also correlated with the experimental results. The photoadducts between 8-methoxypsoralen and adenine are likely to be C4-cycloadducts through the cycloaddition of 3,4-pyrone double bond of 8-methoxypsoralen to 7,8-double bond of adenine.

Reactions of thioxanthylium ion with dimethyl-, dibenzyl-, diisopropyl-, and diphenylmercury in the air gave 9,9'-methylenedithioxanthene, 9-benzylthioxanthene, 9-acetonylthioxanthene, and 9-phenylthioxanthene, respectively, as a 9-substituted thioxanthene. In contrast with reactions with aromatics with an electron-donating group, large amount of thioxanthene and thioxanthone were obtained. However, only trace amounts of thioxanthene and thioxanthone were obtained from the reaction with dibenzylmercury under nitrogen atmosphere. In order to explain these reactions, one electron transfer between thioxanthylium ion and organomercurials was proposed.