紅外光譜與核磁氫譜教材

1、應(yīng)化101-5#郭亞洲蘭健文寧金宇李淼吳凱下面我們開始依次解析醇、酚、醚、胺的紅外光譜紅外光譜分析的根本是分子振動方程。分子振動方程：關(guān)于化學(xué)鍵力常數(shù)k:a、化學(xué)鍵越短k越大，eg：kc=ckc-cb、化學(xué)鍵鍵能越大k越大c、一般極性越大k越大，eg：kc=o=6.857kc=N=6.462分子振動方程主要特征吸收是O-H和C-O的伸縮振動吸收，自由羥基O-H的伸縮振動：36503580cm-1,為尖銳的吸收峰，分子間氫鍵O-H伸縮振動：34003200cm-1，為寬的吸收峰；C-O 伸縮振動：13001000cm-1,O-H 面外彎曲：769-659cm-1，1400cm-1附近和900cm

2、-1附近也有C-O的變形振動（和胺相似）cm-1分析各個峰的歸屬3334cm-1, -OH的伸縮振的伸縮振動峰，一般波數(shù)范圍：動峰，一般波數(shù)范圍：335010 cm-1。這是一這是一個很特征的個很特征的OH峰，由于氫峰，由于氫鍵的存在，所有鍵的存在，所有OH峰均比峰均比較寬。較寬。2960cm-1, -CH3反反對稱伸縮振動峰。對稱伸縮振動峰。2931cm-1,-CH2反對稱伸縮振反對稱伸縮振動峰。動峰。2870cm-1, -CH3對稱伸對稱伸縮振動峰?？s振動峰。2861cm-1, -CH2對稱伸對稱伸縮振動峰?？s振動峰。asasa a 反對稱伸縮反對稱伸縮 對稱伸縮對稱伸縮 變形變形振動振動

3、1468cm-1, -CH3反對稱彎曲振動反對稱彎曲振動峰。峰。1455cm-1,-CH2剪剪刀彎曲振動峰。刀彎曲振動峰。1430cm-1,-OH彎曲振動峰，彎曲振動峰，一般波數(shù)范圍：一般波數(shù)范圍：1400 100cm-1，這個寬峰被這個寬峰被CH彎彎曲模式峰掩蓋。曲模式峰掩蓋。1379cm- 1,-CH3傘形彎曲傘形彎曲振動峰。振動峰。指紋區(qū)：與參考譜圖比對，指紋區(qū)：與參考譜圖比對，即能給出定性結(jié)論。即能給出定性結(jié)論。1058cm-1,-C-O伸縮振動峰，伸縮振動峰，與與C-C伸縮振動是反對稱的，伸縮振動是反對稱的，一般波數(shù)范圍：一般波數(shù)范圍：伯醇：伯醇：105025cm-1仲醇：仲醇：11

4、2525cm-1叔醇：叔醇：115050cm-1725cm-1, -(CH2)4搖擺振動峰，搖擺振動峰，只有在只有在4個和個和4個個CH2存在時才存在時才有這個搖擺振動峰。有這個搖擺振動峰。660cm-1,-OH搖擺搖擺振動峰，這是由振動峰，這是由于于OH基團的存在基團的存在的另外一個寬峰。的另外一個寬峰。3324.293118.743084.522433.911921.971589.511493.501443.511325.471281.941215.611162.491107.621002.84960.79854.83820.28753.89695.02660.66627.36538.58

5、494.675001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/13336.652963.182937.012878.211458.011383.471235.311099.211056.001016.91968.94887.69858.51754.72662.38465.315001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1分子對稱性比分子對稱

6、性比較低較低3360.032936.642882.051422.161214.431111.911045.60995.92925.02853.85675.665001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1分子對稱性比較分子對稱性比較高高3360.032936.642882.051422.161214.431111.911045.60995.92925.02853.85675.665001000150020002500300035004000Wavenumber c

7、m-12030405060708090100Transmittance % Page 1/13336.652963.182937.012878.211458.011383.471235.311099.211056.001016.91968.94887.69858.51754.72662.38465.315001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1對稱性越強振動時偶極對稱性越強振動時偶極矩變化越小，吸收譜帶矩變化越小，吸收譜帶越弱！越弱！3432.212974.1

8、02930.072890.902827.501659.221453.761384.491330.841264.901200.781111.29969.50920.04854.10820.26643.795001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1吸電基團的影響？吸電基團的影響？3432.212974.102930.072890.902827.501659.221453.761384.491330.841264.901200.781111.29969.50920.

9、04854.10820.26643.795001000150020002500300035004000Wavenumber cm-12030405060708090 100Transmittance % Page 1/13336.652963.182937.012878.211458.011383.471235.311099.211056.001016.91968.94887.69858.51754.72662.38465.315001000150020002500300035004000Wavenumber cm-12030405060708090 100Transmittance % Pa

10、ge 1/13360.032936.642882.051422.161214.431111.911045.60995.92925.02853.85675.665001000150020002500300035004000Wavenumber cm-12030405060708090 100Transmittance % Page 1/1甲氧基是吸電基團使羥基甲氧基是吸電基團使羥基O-HO-H伸縮峰藍移！伸縮峰藍移！3324.293118.743084.522433.911921.971589.511493.501443.511325.471281.941215.611162.491107.62

11、1002.84960.79854.83820.28753.89695.02660.66627.36538.58494.675001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/13445.603239.623112.481975.011944.721817.441741.271616.081585.181532.601477.011446.941368.841310.461260.761175.651127.231077.991023.56958.71864.93815.1

12、4787.33748.10661.84551.01521.73450.285001000150020002500300035004000Wavenumber cm-130405060708090100Transmittance % Page 1/13542.683267.373105.652924.952441.301954.481827.781626.411597.471537.851479.581432.551339.981255.381182.771139.101103.971061.97917.47843.91769.46740.47714.07682.65638.00575.3251

13、8.54426.345001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/13324.293118.743084.522433.911921.971589.511493.501443.511325.471281.941215.611162.491107.621002.84960.79854.83820.28753.89695.02660.66627.36538.58494.675001000150020002500300035004000Wavenumber cm-1203

14、0405060708090 100Transmittance % Page 1/13445.603239.623112.481975.011944.721817.441741.271616.081585.181532.601477.011446.941368.841310.461260.761175.651127.231077.991023.56958.71864.93815.14787.33748.10661.84551.01521.73450.285001000150020002500300035004000Wavenumber cm-130405060708090 100Transmit

15、tance % Page 1/13542.683267.373105.652924.952441.301954.481827.781626.411597.471537.851479.581432.551339.981255.381182.771139.101103.971061.97917.47843.91769.46740.47714.07682.65638.00575.32518.54426.345001000150020002500300035004000Wavenumber cm-12030405060708090 100Transmittance % Page 1/1對鄰2，4三者對

16、比明顯的藍移，吸電基團明顯的藍移，吸電基團硝基的影響！硝基的影響！特征吸收：13001000cm-1 的伸縮振動，脂肪醚：11501060cm-1 （C-O-C伸縮）一個強的吸收峰 芳香醚：12701230cm-1（為Ar-O伸縮），10501000cm-1（為R-O伸縮）2976.822932.572862.612803.982691.462604.861961.471653.591487.761441.961379.431347.841294.781118.041073.141040.82931.34842.10792.00436.56500100015002000250030003500

17、4000Wavenumber cm-12030405060708090100Transmittance % Page 1/1127012701230cm1230cm-1-1為為Ar-OAr-O伸縮伸縮1050105010001000cmcm-1-1為為R-OR-O伸縮伸縮胺：N-H 伸縮振動吸收35003100 cm-1；C-N 伸縮振動吸收13501000 cm-1；N-H變形振動相當(dāng)于-CH2-的剪式振動吸收：16401560cm-1；面外彎曲振動吸收900650cm-1.酰胺：3500-3100cm-1 N-H伸縮振動 1680-1630cm-1 C=O 伸縮振動1655-1590cm-

18、1 N-H彎曲振動 1420-1400cm-1 C-N伸縮cm-11-己胺己胺你能分辨哪些峰是來自你能分辨哪些峰是來自NH2基團？基團？這是這是C-H和和N-H伸縮振動區(qū)域。伸縮振動區(qū)域。3390cm-1, -NH2反對稱申反對稱申說振動峰，一般說振動峰，一般NH2的反的反對稱伸縮振動峰的位置：對稱伸縮振動峰的位置：3300100cm-1。比比OH的的伸縮振動峰的強度要弱很伸縮振動峰的強度要弱很多。多。3290cm-1,-NH2對稱對稱伸縮振動峰。仲胺只伸縮振動峰。仲胺只有一個伸縮振動峰，有一個伸縮振動峰，叔胺沒有叔胺沒有N-H伸縮振伸縮振動峰。動峰。2960cm-1, -CH3反對稱伸縮振動

19、反對稱伸縮振動峰。峰。2931cm-1,-CH2反對稱伸縮振反對稱伸縮振動峰。動峰。2870cm-1, -CH3對對稱伸縮振動。稱伸縮振動。2861cm-1,-CH2對稱伸縮振動峰對稱伸縮振動峰。1613cm-1, -NH2剪刀彎曲剪刀彎曲振動峰。一般來說，振動峰。一般來說，NH2的剪刀彎曲振動峰的位置的剪刀彎曲振動峰的位置在在161515 cm-1。對于對于仲胺和叔胺來說，不出現(xiàn)仲胺和叔胺來說，不出現(xiàn)這個峰。這個峰。1468cm-1,-CH3反對稱彎曲振反對稱彎曲振動峰。動峰。1455cm-1, -CH2剪刀彎曲振動峰。剪刀彎曲振動峰。1379cm-1,-CH3傘形振動峰。傘形振動峰。指紋區(qū)

20、：與參考譜的比指紋區(qū)：與參考譜的比較，可以得出定性結(jié)論較，可以得出定性結(jié)論。797cm-1,-NH2搖搖擺振動峰。仲胺出擺振動峰。仲胺出現(xiàn)一個相似的搖擺現(xiàn)一個相似的搖擺振動峰，但是叔胺振動峰，但是叔胺不存在搖擺振動峰。不存在搖擺振動峰。725cm-1,-(CH2)4搖擺振動搖擺振動峰，只有在峰，只有在4個或個或4個以上個以上的的CH2基團連在一起時才基團連在一起時才出現(xiàn)該峰。出現(xiàn)該峰。3276.582931.812851.432803.972732.942679.631443.811331.411317.611258.111191.111165.411147.091115.021051.341

21、035.421007.23938.53859.11744.70547.51432.085001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/13268.872960.392869.461456.921415.261283.191198.141109.691079.98987.16861.93580.135001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1

22、/13403.373103.352940.742554.941677.691529.451468.521417.741286.061142.181075.241048.051014.62868.02735.03653.52559.825001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/13433.563355.883213.873071.343035.991928.811620.851601.921498.981467.641311.581277.071175.32115

23、3.791118.781052.901027.61995.79880.94753.30692.56527.65503.885001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1伯胺的馬鞍形特征伯胺的馬鞍形特征峰峰3375.623304.163054.332957.362850.832713.332653.492587.902027.621878.731761.501601.041511.241466.881403.131273.711219.831143.011079.181027.36897.1