碳核磁对共振谱.pptVIP

肉桂酸正丁酯的IR、1H NMR、13C NMR * 核磁共振碳谱 13C NMR 12C is not NMR-active I = 0 however…. 13C does have spin, I = 1/2 (odd mass) Some nuclei’s nature abundance and sensitivity 1.000 0.0159 0.00104 0.834 0.066 99.9844 1.108 0.365 100 100 1H 13C 15N 19F 31P sensitivity nature abundance nuclei 13C signals are 6000 times weaker than 1H because: 1. Natural abundance of 13C is small (1.08% of all C) 2. Magnetic moment of 13C is small In order for 13C NMR to be a useful technique in structure determination. A vast increase in the signal-to-noise ratio is required. PULSED FT-NMR IS REQUIRED The chemical shift range is larger than for protons 0 - 200 ppm The 13C NMR spectra is very simple: a separate, distinct peak is observed for each carbon 200 150 100 50 0 HO-CH2-CH2-CH3 c b a For a given field strength 13C has its resonance at a different (lower) frequency than 1H. 1H 1.41 T 60 MHz 2.35 T 100 MHz 7.05 T 300 MHz for carbon-13 13C 1.41 T 15.1 MHz 2.35 T 25.0 MHz 7.05 T 75.0 MHz Divide the hydrogen frequency by 4 (approximately) Because of its low natural abundance (0.0108) there is a low probability of finding two 13C atoms next to each other in a single molecule. 13C - 13C coupling NO! not probable 13C - 1H coupling YES! very common However, 13C does couple to hydrogen atoms (I = 1/2) 丙酮的13-C 谱 四重峰 七重峰 PROTON-DECOUPLED SPECTRA 质子去偶13C NMR波谱（最普通）也称宽带去偶 去掉1H核对13C的自旋偶合，得到分子中不同环境C的简单谱图 a b 注意：碳谱无积分 对称的碳峰重叠 质子偏共振去偶（部分去偶） 只保留与13C直接相连的质子与13C的偶合裂分(n+1)。 (a) 质子去偶谱，(b) 质子偏共振去偶谱 13C 的化学位移 判断方式与氢谱大致相当 分四个区 (1)烷碳区：0～50ppm (2)取代烷碳区：50~80ppm C-O.C-N, C-S等 (3)芳烯区：100～150ppm (4)羰基区：150～200ppm 2,2-DIMETHYLBUTANE Bromocyclohexane Toluene Cyclohexene Cyclohexanone a a b b c c 1,2-dichlorobenzene 总 结：13－C谱的特点（与1－H谱相比较） 1、1HNMR提供了化学位移、耦合常数、积分曲线三个重要信息。在13CNMR中，无积分面积 2、13C的化学位移比1H