红外光谱及核磁氢谱

1、应化101-5#郭亚洲兰健文宁金宇李淼吴凯下面我们开始依次解析醇、酚、醚、胺的红外光谱红外光谱分析的根本是分子振动方程。分子振动方程：关于化学键力常数k:a、化学键越短k越大，eg：kc=ckc-cb、化学键键能越大k越大c、一般极性越大k越大，eg：kc=o=6.857kc=N=6.462分子振动方程主要特征吸收是O-H和C-O的伸缩振动吸收，自由羟基O-H的伸缩振动：36503580cm-1,为尖锐的吸收峰，分子间氢键O-H伸缩振动：34003200cm-1，为宽的吸收峰；C-O 伸缩振动：13001000cm-1,O-H 面外弯曲：769-659cm-1，1400cm-1附近和900cm

2、-1附近也有C-O的变形振动（和胺相似）cm-1分析各个峰的归属3334cm-1, -OH的伸缩振的伸缩振动峰，一般波数范围：动峰，一般波数范围：335010 cm-1。这是一这是一个很特征的个很特征的OH峰，由于氢峰，由于氢键的存在，所有键的存在，所有OH峰均比峰均比较宽。较宽。2960cm-1, -CH3反反对称伸缩振动峰。对称伸缩振动峰。2931cm-1,-CH2反对称伸缩振反对称伸缩振动峰。动峰。2870cm-1, -CH3对称伸对称伸缩振动峰。缩振动峰。2861cm-1, -CH2对称伸对称伸缩振动峰。缩振动峰。asasa a 反对称伸缩反对称伸缩 对称伸缩对称伸缩 变形变形振动振动

3、1468cm-1, -CH3反对称弯曲振动反对称弯曲振动峰。峰。1455cm-1,-CH2剪剪刀弯曲振动峰。刀弯曲振动峰。1430cm-1,-OH弯曲振动峰，弯曲振动峰，一般波数范围：一般波数范围：1400 100cm-1，这个宽峰被这个宽峰被CH弯弯曲模式峰掩盖。曲模式峰掩盖。1379cm- 1,-CH3伞形弯曲伞形弯曲振动峰。振动峰。指纹区：与参考谱图比对，指纹区：与参考谱图比对，即能给出定性结论。即能给出定性结论。1058cm-1,-C-O伸缩振动峰，伸缩振动峰，与与C-C伸缩振动是反对称的，伸缩振动是反对称的，一般波数范围：一般波数范围：伯醇：伯醇：105025cm-1仲醇：仲醇：11

4、2525cm-1叔醇：叔醇：115050cm-1725cm-1, -(CH2)4摇摆振动峰，摇摆振动峰，只有在只有在4个和个和4个个CH2存在时才存在时才有这个摇摆振动峰。有这个摇摆振动峰。660cm-1,-OH摇摆摇摆振动峰，这是由振动峰，这是由于于OH基团的存在基团的存在的另外一个宽峰。的另外一个宽峰。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分子对称性比分子对称

6、性比较低较低3360.032936.642882.051422.161214.431111.911045.60995.92925.02853.85675.665001000150020002500300035004000Wavenumber cm-12030405060708090100Transmittance % Page 1/1分子对称性比较分子对称性比较高高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对称性越强振动时偶极对称性越强振动时偶极矩变化越小，吸收谱带矩变化越小，吸收谱带越弱！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吸电基团的影响？吸电基团的影响？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甲氧基是吸电基团使羟基甲氧基是吸电基团使羟基O-HO-H伸缩峰蓝移！伸缩峰蓝移！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对邻2，4三者对

16、比明显的蓝移，吸电基团明显的蓝移，吸电基团硝基的影响！硝基的影响！特征吸收：13001000cm-1 的伸缩振动，脂肪醚：11501060cm-1 （C-O-C伸缩）一个强的吸收峰 芳香醚：12701230cm-1（为Ar-O伸缩），10501000cm-1（为R-O伸缩）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为为Ar-OAr-O伸缩伸缩1050105010001000cmcm-1-1为为R-OR-O伸缩伸缩胺：N-H 伸缩振动吸收35003100 cm-1；C-N 伸缩振动吸收13501000 cm-1；N-H变形振动相当于-CH2-的剪式振动吸收：16401560cm-1；面外弯曲振动吸收900650cm-1.酰胺：3500-3100cm-1 N-H伸缩振动 1680-1630cm-1 C=O 伸缩振动1655-1590cm-

18、1 N-H弯曲振动 1420-1400cm-1 C-N伸缩cm-11-己胺己胺你能分辨哪些峰是来自你能分辨哪些峰是来自NH2基团？基团？这是这是C-H和和N-H伸缩振动区域。伸缩振动区域。3390cm-1, -NH2反对称申反对称申说振动峰，一般说振动峰，一般NH2的反的反对称伸缩振动峰的位置：对称伸缩振动峰的位置：3300100cm-1。比比OH的的伸缩振动峰的强度要弱很伸缩振动峰的强度要弱很多。多。3290cm-1,-NH2对称对称伸缩振动峰。仲胺只伸缩振动峰。仲胺只有一个伸缩振动峰，有一个伸缩振动峰，叔胺没有叔胺没有N-H伸缩振伸缩振动峰。动峰。2960cm-1, -CH3反对称伸缩振动

19、反对称伸缩振动峰。峰。2931cm-1,-CH2反对称伸缩振反对称伸缩振动峰。动峰。2870cm-1, -CH3对对称伸缩振动。称伸缩振动。2861cm-1,-CH2对称伸缩振动峰对称伸缩振动峰。1613cm-1, -NH2剪刀弯曲剪刀弯曲振动峰。一般来说，振动峰。一般来说，NH2的剪刀弯曲振动峰的位置的剪刀弯曲振动峰的位置在在161515 cm-1。对于对于仲胺和叔胺来说，不出现仲胺和叔胺来说，不出现这个峰。这个峰。1468cm-1,-CH3反对称弯曲振反对称弯曲振动峰。动峰。1455cm-1, -CH2剪刀弯曲振动峰。剪刀弯曲振动峰。1379cm-1,-CH3伞形振动峰。伞形振动峰。指纹区

20、：与参考谱的比指纹区：与参考谱的比较，可以得出定性结论较，可以得出定性结论。797cm-1,-NH2摇摇摆振动峰。仲胺出摆振动峰。仲胺出现一个相似的摇摆现一个相似的摇摆振动峰，但是叔胺振动峰，但是叔胺不存在摇摆振动峰。不存在摇摆振动峰。725cm-1,-(CH2)4摇摆振动摇摆振动峰，只有在峰，只有在4个或个或4个以上个以上的的CH2基团连在一起时才基团连在一起时才出现该峰。出现该峰。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伯胺的马鞍形特征伯胺的马鞍形特征峰峰3375.623304.163054.332957.362850.832713.332653.492587.902027.621878.731761.501601.041511.241466.881403.131273.711219.831143.011079.181027.36897.1