[基础科学]图谱解析.ppt

图谱解析Interpretation of Spectra 任课教师：顾小红 电 话： 5864482(8482) Introduction Spectroscopy the cornerstone of the organic chemistry of the second half of the twentieth century. Using spectroscopic techniques to solve structural problems. Ultraviolet spectroscopy (UV), in 1930s Infrared spectroscopy (IR), in 1940 functionality Mass spectrometry (MS), in 1950s molecular formula Nuclear magnetic resonance spectroscopy (NMR), in 1950s Molecular skeleton 附：常用光谱分析法分类 Reference * The pace of progress in structure determination 1960s, the advent of the Varian Associates A-60 spectrometer proton NMR 1970s, the development of the FT instrument carbon-13 NMR (CMR) 1990s, ‘two-dimensional’ (2D) NMR, a daughter of the computer revolution Three waves of NMR UV 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 ions Where UV, IR, NMR rely on the selective absorption of electromagnetic radiation Spectroscopic methods X-ray diffraction to pinpoint centres of high electron density (i.e. the atoms) Microwave absorption to measure molecular rotations Electron spin resonance to detect unpaired electrons and measure the distribution of electron density in radicals Optical rotatory dispersion and circular dichroism to measure the change in rotatory power of molecules, be related to the absolute configuration of molecules Other regions of the electromagnetic spectrum The measurement of pKs, re