King Saud University
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تحميل الدليل التدريبي

أسئلة شائعة

I have a wide variety of experiences in organic synthesis, uv-visible and IR spectroscopy, computational chemistry and computer science. My M.Sc. thesis was mainly concerned with the uv-visible and charge transfer spectra and semi-empirical MO calculations using the INDO/CI method. My Ph.D. thesis was concerned with the understanding of the nature of vibrational circular dichroism (VCD). This required measuring the IR, Raman and VCD spectra of different organic molecules. In the mean time we were interested in comparing the experimental with the calculational results, which required using different quantum chemistry programs like the GAUSSIAN, GAMESS and CADPAC programs.
During my post-doctoral fellowship at the university of Stuttgart, I was working on the derivation of the MP2 energy gradient equations for local and canonical orbitals and programming these equations as part of the MOLPRO program. The MOLPRO program is one of the fastest and most promising ab initio quantum chemistry packages available but lacked the ability to calculate the energy gradients and vibrational frequencies analytically. This was the first time to include the energy gradient for local orbitals in an ab initio program.
Currently we are using the experimental vibrational, IR and Raman, and ab initio computational methods to study the structure and vibrational spectra of different crown ethers and their alkali metal cation complexes. Examples of crown ethers studied are 12-crown-4, 18-crown-6, 12-thiacrown-4 and 18-thiacrown-6. The importance of crown ethers lies in their ability to form complexes with metal cations of the nuclear waste to reduce their amount to be stored. They are also used in cancer treatment, biomedical diagnosis, photochemistry, chromatography and liquid crystals. This work can be extended to other crown ethers, for example, 9-crown-3, 15-crown-5, 21-crown-7 and 24-crown-8 and their sulphur analogs. This research project is funded by King Abdul Aziz City for Science and Technology. This work, so far, was welcomed by five papers published in one of the most prominent journals in the field of physical chemistry, Journal of Physical Chemistry.
We are also planning to work on a second project of clusters and nanoparticles. This involves theoretical studies of some selected nanoparticles, as the molecular dynamics of nanotubes and studying the optical properties of some synthesized clusters as ZnO. Cluster chemsitry has gained much interest recently due to their wide applications for their surface/volume ratio and their properties that are different from those of the bulk matter. This project aims to understanding the structure and properties of differenct clusters and nanoparticles and the reasons behind their stability.
In both my M.Sc. and Ph.D. work, I had to synthesis some of the organic compounds to be used in my work that gave me some experience with organic synthesis. During my Ph.D. study, I took about 14 computer courses that helped me in my research and added to my experience. A list of computer courses I studied at the Computer Science Department at the University of Illinois at Chicago is attached. I have also a fair knowledge of the German language.
During my stay at the King Saud University in Saudi Arabia, I made substantial improvements in the four Quantum chemsitry and Spectroscopy courses at the undergraduate and graduate levels taught at the Chemsitry Department. This involved not only making significant improvements the subject matter of the contents of these courses but also writing four books in these subjects and translation of one of the main reference books in the field of Spectroscopy. Teaching of the graduate quantum chemistry course required the use of quantum chemsitry programs and computers. This has been welcomed by both the chemistry department and the graduate students to learn of the use of computers and its applications in the field of chemsitry. This helped the establishment a computer room for the undergraduate chemistry students, for the first time.
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