The photolysis and thermal reaction of hexafluorobenzene solution of icosahedral dicarba-closo-dodecaborane and various carbenes have been shown to lead to the formation of four isomeric insertion products to icosahedral molecules. The results showed the carbene insertion reaction to 1, 2-dicarba-closo-dodecaborane to occur at the positions of 4-, 5-, 7-, and 11-borons, 9-, and 12-borons 3-, and 6-borons and 8-, and 10-borons. The samples of 1, 7-, and 1, 12-dicarba-closo-dodecaborane with carbenes in hexafluorobenzene by photolysis showed no reaction. To find out the reactivities of carbenes to dicarba-closo-dodecaboranes, the total energies have been calculated and have been discussed the tendency for carbene insertion reactions to icosahedral carboranes.

The structures of dehydrated $Ag_9Cs_3$-A treated with hydrogen gas at three different temperatures have been determined by single-crystal X-ray diffraction techniques. Their structures were solved and refined in the cubic space group Pm3m at 23(1) $^{\circ}C$. All crystals were ion exchanged in flowing streams of aqueous $AgNO_3$/$CsNO_3$ with a mole ratio 1:3.0 to achieve the desired crystal composition. The structures treated with hydrogen at $23^{\circ}C(a=12.288(1)\;{\AA})\;and\;310^{\circ}C(a=12.291(2)\;{\AA})$ refined to the final error indices R1 = 0.091 and R2 = 0.079, and 0.065 and 0.073, respectively, using the 216 and 227 reflections, respectively, for which I >3${\sigma}$(I). In both of these structures, eight $Ag^+$ ions are found nearly at 6-ring centers, and three $Cs^+$ ions lie at the centers of the 8-rings at sites of $D_{4h}$ symmetry. One $Ag^{\circ}atom$, presumably formed from the reduction of a $Ag^+$ ion by an oxide ion of a residual water molecule or of the zeolite framework during the dehydration process, is retained within the zeolite, perhaps in a cluster. In these two structures hydrogen gas could not enter the zeolite to reduce the $Ag^+$ ions because the large $Cs^+$ ions blocked all the 8-windows. However, hydrogen could slowly diffuse into the zeolite and was able to reach and to reduce about half of the $Ag^+$ ions in the structure only at high temperature ($470^{\circ}C$). The silver atoms produced migrated out of the zeolite framework, and the protons generated led to substantial crystal damage.

In this work we have investigated temperature dependence of spin-rotational relaxation rate, $(1/T_1)_{SR}$, of methyl carbon-13's in 2-bromo-p-xylene, 2,5-dimethylaniline, and 2,5-dimethylanisole and have found that temperature behaviors of two methyl carbon-13's in ortho- and meta-position, respectively, are substantially different. It has been confirmed that the modified Burke-Chan model proposed by Park et al. can nicely explain different temperature dependence of $(1/T_1)_{SR}$ for these two methyl carbon-13's while the original Burke-Chan model fails to do so.

The reduction of a series of 1-substituted benzyl-3-cyanoquinolinium ions (p-$cH_3$, H, p-Br, m-F, p-CN) by sodium borohydride has been investigated. In all cases the products from these reactions were found to be 1, 2-dihydroquinolines over 82% yields. Rates of reduction were measured in basic condition and in solvent system consisting of 4 parts of isopropyl alcohol and 1 part of water by volume. Second order rate constants were obtained for these reactions. When the ratio of [$OH^-$] to [$BH_4^-$] becomes large the observed rate constants ($K_{obs}$) decrease by a small factor. Reaction scheme and rate law are discussed. Bronsted ${\alpha}(=\frac{d\;In\;k}{d\;In\;K})$ obtained by using the value of equilibrium constant K, which was obtained previously, was not 0. Instead, a value of 0.36 was obtained which indicated that the reduction by borohydride was structure-dependent according to the Marcus formalism even though the reaction rate was close to the diffusion limit.

The Smoluchowski equations with a linear and a parabolic potentials in one-dimensional case are solved for the reflecting boundary condition. Analytic expressions for the long-time behaviors of the remaining probabilities are obtained. These results, together with the previous result for a step potential, show the dependence of the desorption process on the form of potential. The effect of the radiation boundary condition is also investigated for three types of potentials.

The effects of initial vibrational energy on VV energy transfer in the collinear collision of two diatomic molecules, either homonuclear or heteronuclear, has been studied over a range of collision energies in classical mechanics. When initial vibrational energy is very large, only a small fraction of vibrational energy in the excited molecule is transferred to the colliding partner. In this case, the VV step is found to be strongly coupled with VT during the collision. At low collision energies, energy transfer in the homonuclear case of $O_2$+ $O_2$ with small initial vibrational energy is found to be very inefficient. In the heteronuclear case of CH + HC with the initial energy equivalent to one vibrational quantum, VV energy exchange is found to be very efficient at such energies. Between 0.3 and 0.5 ev, nearly all of vibrational energy of the excited molecule with one to about three vibrational quanta in CH + HC is efficiently transferred to the colliding partner through pure VV process in a sequence of down steps during the collision. The occurrence of multiple impacts during the collision of two heteronuclear molecules and the collisional bond dissociation of homonuclear molecules are also discussed.

2-Ethoxy-6-methoxy-5-cyano-3,4-dihydro-2H-pyran (1_a$), 2-n-butoxy-6-methoxy-5-cyano-3,4-dihydro-2H-pyr an (1b), 2-isobutoxy-6-methoxy-5-cyano-3,4-dihydro-2H-py ran ($1_c$), and 2-ethoxy-6-methoxy-3-methyl-5-cyano-3,4-dihydro -2H-pyran ($1_d$) were prepared by (4 + 2) cycloaddition reaction of methyl $\alpha$-cyanoacrylate with the corresponding alkyl vinyl ethers. Compounds $1_{a-d}$ were ring-open polymerized by cationic catalyst to obtain alternating head-to-head (H-H) copolymers. For comparison, head-to-tail (H-T) copolymer $3_a$ was also prepared by free radical copolymerization of the corresponding monomers. The H-H copolymer exhibited minor differences in its $1_H% NMR and IR spectra, but in the $^{13}C$ NMR spectra significant differences were observed between the H-H and H-T copolymers. Glass transition temperature ($T_g$) of H-H copolymer was higher than that of the H-T copolymer, but thermal decomposition temperature of the H-H copolymer was lower than that of the H-T copolymer. Compounds $1_a$, $a_b$, and $1_c$, copolymerized well with styrene by cationic catalyst, but compound 1d failed to copolymerize with styrene. All of the H-H and H-T copolymers were soluble in common solvents and the inherent viscosities were in the range 0.2-0.4 dl/g.

2-Methoxy-6-methyl-3,4-dihydro-2H-pyran ($1_a$), 2-ethoxy-3,6-dimethyl-3,4-dihydro-2H-pyran ($1_b$), and 2-ethoxy-3-methyl-6-ethyl-3,4-dihydro-2H-pyran ($1_c$) were prepared by (4 + 2) cycloaddition reaction from the corresponding vinyl ketones and alkyl vinyl ethers. Compounds $1_{a-c}$ were ring-open polymerized by cationic catalyst to obtain alternating head-to-head (H-H) copolymers. For comparison, copolymer of head-to-tail (H-T) was also prepared by free radical copolymerization of the mixture of the corresponding monomers. The H-H copolymer exhibited some differences in its $^1H$ NMR and IR spectra. However, significant differences were showed between the H-H and H-T copolymers in the $^{13}C$ NMR spectra. Also noteworthy was that$T_g$ value of H-H copolymer was higher than that of the corresponding H-T structure. Decomposition temperature of the H-H copolymer was lower than that of the H-T copolymer. All the H-H and H-T copolymers were soluble in common solvents.

A theory in which the Enskog hard sphere collisional dynamics complements the hydrodynamic theory is applied to the fast modulation dephasing dynamics in liquids which leads to homogeneous line broadening in the isotropic Raman spectra. The dephasing times of several molecules in pure liquids and in trace solutions in the solvent $CCl_4$ are calculated and these are compared with experimental values. The temperature dependence of the dephasing time of liquid acetonitrile and the isothermal density dependence of the dephasing time of liquid methyl iodide are also investigated.

Temperature-dependent, solution EPR spectra of two mixed-valence copper(II)-copper(I) complexes have been simulated by using modified Bloch equations. The transition probability for the intramolecular electron transfer is determined from the simulation. The transition probabilities have been fitted to the Arrhenius equation to derive the activation energies. The transition probability also varies according to the solvent used.

The angular dependence of polarization of the A-band emission from RbCl:$Pb^{2+}$ is measured at 13.4 K to determine the symmetry axes of the $Pb^{2+}-v^-_c$ dipoles. The results indicate that these centers posess tetragonal symmetry. This implies that $v^-_c$ is situated in the next-nearest-neighbor (nnn) position to the $Pb^{2+}$ ion. The polarization ratio of the A-band emission measured at various temperatures is found to be independent of the temperature. The temperature independence of polarization confirms that, for the ion, the Jahn-Teller effect reduced by strong spin-orbit interaction does not give rise to thermal depolarization.

The micelle formation of NaDC was studied by fluorometric and viscometric measurements. The thermodynamic parameters of the primary and secondary micellization of the bile salt were evaluated. The primary micelle formation was appeared to be an entropy driven process due to hydrophobic effect, while the major driving force for secondary micelle formation of the bile salt is the large negative enthalpy. The secondary micelle provides less hydrophobic environment to pyrene than the primary micelle does. The cooperative aggregation of primary micelles via hvdrogen bond formation was proposed for the secondary micelle formation.

Oribtal energies for AuH and AgH are calculated by an all-electron relativistic self-consistent-field method using Slater type basis functions. Major relativistic effects for AgH are spin-orbit splittings and those for AuH are large shifts in orbital energies in addition to spin-orbit splittings. Relativistic effects on orbital energies in AgH and AuH imply that changes in correlation energies for relativistic calculations of AuH will be significantly larger than those of AgH, providing partial explanation for the large discrepencies in equilibrium bond length and the dissociation energy between experiments and theoretical estimates for AuH. Large relativistic effects on orbital energies indicate that relativistic contributions should be included for the correct interpretation of ionization potentials for these molecules. Relativistic effects are also evident in dipole moments for these molecules.