基础科学图谱解析.pptxVIP

基础科学图谱解析会计学第1页/共8页The pace of progress in structure determinationUltraviolet spectroscopy (UV), in 1930sInfrared spectroscopy (IR), in 1940 functionalityMass spectrometry (MS), in 1950smolecular formulaNuclear magnetic resonance spectroscopy (NMR), in 1950sMolecular skeleton第2页/共8页Three waves of NMR1960s, the advent of the Varian Associates A-60 spectrometer proton NMR1970s, the development of the FT instrument carbon-13 NMR (CMR)1990s, ‘two-dimensional’ (2D) NMR, a daughter of the computer revolution 第3页/共8页Spectroscopic methodsUV to detect conjugated systems, the promotion of electrons from the ground state to the excited state IR to detect and identify the vibrations of molecules, especially the characteristic vibrations of the double and triple bonds present in many functional groups NMR to detect changes in the alignment of nuclear magnets in strong magnetic fields, such nuclei as 1H, 13C, 15N, 19F, P31 etc.MS to measure the mass-to-charge ratio of organic ionsWhere UV, IR, NMR rely on the selective absorption of electromagnetic radiation第4页/共8页Other regions of the electromagnetic spectrumX-ray diffraction to pinpoint centres of high electron density (i.e. the atoms)Microwave absorption to measure molecular rotationsElectron spin resonance to detect unpaired electrons and measure the distribution of electron density in radicalsOptical rotatory dispersion and circular dichroism to measure the change in rotatory power of molecules, be related to the absolute configuration of moleculesOther physical methods第5页/共8页The measurement of pKs, reaction rates, and dipole moments, also can be used for structure determination. ——more specialized than the four spectroscopic methods第6页/共8页附：常用光谱分析法分类第7页/共8页Reference 波谱分析法沈淑娟华东化工学院出版社有机结构分析伍越寰中国科学技术大学出版社光谱解析法在有机化学中的应用洪山海科学出版社有机化合物的光谱鉴定唐恢同北京大学出版社NMR, the precise frequency of absorption is a very sensitive measure of the magnetic, and hence the chemical, environment of such nuclei. Moreover, the number and disposition of nei