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Study On Conformation Of N-pentane Molecule Base On EMS

Posted on:2005-12-01Degree:MasterType:Thesis
Country:ChinaCandidate:Q XiaoFull Text:PDF
GTID:2120360152967718Subject:Physics
Abstract/Summary:PDF Full Text Request
Great achievements have been made on the study of molecule and atom's energy level structure with thirty years development of EMS. At the same time, a new field has been cut and developed for a series of cross-subject study. Deleuze and Pang found that the movements of molecule conformation may arouse the change of density distribution of molecule orbit's electron. They carefully studied EMS experimental data of n-butane, and brought forward for the first time that (e, 2e) dispersion experimentation can be used in the analysis of molecule conformation.Conformation is a basic level of geometrical structure of molecule and it has great influence on the characteristic, stability and response mechanism of organic compound. The aim of this paper is to study molecule conformation of n-pentane using EMS and thereby provide a new physical detecting way of studying molecule conformation of life-form, especially organic compound.To study molecule conformation, the experimental equipment with good performance is needed. This equipment is self-made. The main task of this paper is to debug the equipment in the round. Through great effort of debugging and improving, the vacuum system, machinery system, electronics system and software system of spectrometer are working in order now. The energy resolving power is up to par.The author also theoretically calculate energy level distributing and orbit electron density distributing of four stable molecule conformations of n-pentane by using methods of Density Function Theory and Molecule Orbits Theory. Some theoretical results are obtained by dealing with molecule obit properly chosen after comparison and analysis of different conformation molecule's calculating results. The results indicate the feasibility of studying molecule conformation of n-pentane by using EMS. In conclusion, the experimental condition is confirmed by the way mentioned above, and molecule conformation of n-pentane should be studied by using EMS.
Keywords/Search Tags:(e, 2e) reaction, electron momentum spectroscopy (EMS), molecule conformation, n-pentane
PDF Full Text Request
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