应用波普学.pptVIP

Chapter 1 UV-Vis Spectroscopy The various kinds of electronic excitation (transitions) in organic molecules 2. 某化合物在200-400nm范围内没吸收，该化合物是芳香族；含共轭双键；醛；醇 3. 某化合物分子式C5H8O，在UV图上有两个吸收带（224，9750；314，38），结构是 　CH3CH＝CHCOCH3；CH2＝CHCH2COCH3 　CH3CH＝CHCH2CHO；CH2＝CH(CH2)2CHO 4. 某羰基化合物在近紫外和可见光区只产生一个204nm （60）的弱吸收带。该化合物可能是酯；醛酮；?，?－不饱和醛酮；?，?－不饱和酯； Examples The diene would be calculated to have a maximum at 234nm by the following addition: 1. Compounds X (C6H8) and Y (C6H8) each take up 2 mole equivalents of H2 in the presence of Pd/C to give cyclohexane. What are the structures of X and Y when X has ?max 267nm and Y has ?max 190nm? Rules for ?,? -unsaturated ketones and aldehyde absorption (in ethanol) Solvent corrections for ?, ? - unsaturated ketones 计算： 253+60+15+25=353nm 定性分析（qualitative analysis确定未知化合物） 有机化合物分子结构的推断 * * * * * 电子光谱测定法 紫外可见光谱 C O H n p s H ???* n??* ???* n??* 200nm 200 to 800 nm ? ? ??* Transition ?max104 ?max~200nm CONJUGATED ?max? ?max? ? n??* Transition ?max200nm ?max100 CH3-CH=CH-CHO ?max? ?max? ???* 217(16000); n??* 320(20) benzene E1带(184nm, 46000); E2带(202nm, 7400); B带(230nm~270nm, 204) ?max200nm The UV-Vis spectrum is usually taken of a very dilute solution. An appropriate quantity of the compound (often about 1mg when the compound has a molecular weight of 100-200) is weighed accurately, dissolved in the solvent of choice (see below), and made up to, for instance, 100mL. 1. IR表明化合物C9H10O分别含有一个苯环、羰基、亚甲基、甲基，但无法确定羰基的位置。UV显示有三个吸收带254nm(lg?max=4.1); 280nm(lg?max=3.1);320nm(lg?max =1.9)。化合物结构是 Sources deuterium and hydrogen lamps(160-375nm) tungsten filament lamp(350-2500nm) 2. Wavelength selector (monochromator) 4. Detector photomultiplier tube; photodiode array 3. Sample containers 5. Signal processor and readout Woodward-Fieser Rules for calculating the ?max of Conjugated Dienes and Polyenes 60nm R2N- (Amino Group) 5nm X- (Cl- or Br-) 30nm RS- (Sulfide Group) 6nm RO