| In Section I, the chemical vapor deposition of zinc oxide thin films was carried out with diethyl zinc and water vapor. This study used molecular orbital methods to examine complexes of one and two molecules of H2O with Zn(C2H5)2, and the subsequent hydrolysis, elimination, and oligomerization reactions which may occur in the gas phase. Hydrolysis of Zn(C2H5)2 by a single water has an enthalpy barrier of 19 kcal/mol relative to separated reactants, which is reduced to 4 kcal/mol by the presence of a second water. Further hydrolysis of Zn(C2H5)OH to Zn-(OH)2 is facile, but elimination of C2H6 or H2O to form ZnO is very endothermic. Zn(C2H5)-OH and Zn(OH)2 form very stable dimers and tetramers. Elimination of C2H 6 and H2O from the dimers and tetramers is also endothermic and leads to ring opening.;In Section II, strong field chemistry and physics was studied. An analytical method was developed that accurately predicts the fragmentation intensity for a series of molecules where size and pi conjugation change systematically. As a result of this theory, the polarizability of two series of molecules (linear polyenes and polyacenes) and their +1 molecular ions was investigated. It was found that static polarizability increased on ionization while the increase in the dynamic polarizability was much larger. Simple models were suggested that predict this increase in polarizability well. A new time-dependent Hartree-Fock (TDHF) algorithm was used to simulate optical response of a series of neutral linear polyenes, ethylene, butadiene and hexatriene, and their molecular ions. It was found, for constant electric field intensity, that the nonadiabaticity increased with increasing molecular length and pi electron conjugation. It was also evident that the lowest energy excites state for each molecule was involved in the nonadiabatic excitation. A series of polyacenes, benzene, naphthalene, anthracene and tetracene, showed optical response similar to the polyenes. The intensity and frequency response of the polyacenes shows that increasing the intensity increased the population of higher energy while increasing the frequency shifts the excitation volume to higher energies. Resonant two-photon like absorption was found to HCl using TDHF and STIRAP control of excited state population was demonstrated for H2 +. |
