1、中、弱中强CCC为20001925 cm-1三、炔烃类CC 伸330022702100126012456456153.034.414.767.948.0315.5016.25四、取代苯类泛频峰骨架振动()200016671600201500251580101450125010009106655.006.006.250.086.670.106.330.046.908.0010.0010.9915.03变弱三、四个峰,特征确定取代位置邻双取代间双取代对双取代1,2,3,三取代1,3,5,三取代1,2,4,三取代1,2,3,4四取代1,2,4,5四取代1, 2,3,5四取代五取代7707308107
2、5090086086080087483588586086581086012.9913.7012.3513.3311.1211.6311.6312.5011.4411.9811.3011.6311.5612.3511.63极强五个相邻氢四个相邻氢三个相邻氢一个氢(次要)二个相邻氢三个相邻氢与间双易混一个氢五、醇类、酚类OH伸OH弯(面内)CO伸OH弯(面外)3700320014101260126010007506502.703.137.097.937.9410.0013.3315.38液态有此峰OH伸缩频率游离OH分子间氢键分子内氢键OH弯或CO伸伯醇(饱和)仲醇(饱和)叔醇(饱和)酚类(OH)
3、OH伸(单桥)O伸3650359035003300357034501400112510001210110013901330126011802.742.792.863.032.802.907.148.8910.008.269.097.207.527.948.47锐峰钝峰(稀释向低频移动*)钝峰(稀释无影响)六、醚类COC伸127010107.879.90或标CO伸脂链醚脂环醚芳醚(氧与芳环相连)COC伸(反称)COC伸(对称)COC伸(反称)COC伸(对称)1225106011001030980900127012301050100028258.169.439.099.7110.2011.117.
4、878.139.5210.003.53氧与侧链碳相连的芳醚同脂醚OCH3的特征峰七、醛类(CHO)CO伸28502710175516659757803.513.695.706.0010.212.80很强一般2820及2720cm-1两个带饱和脂肪醛,-不饱和醛芳醛1725168516955.805.935.90八、酮类CC伸泛频1700163012501030351033905.786.138.009.702.852.95很弱脂酮饱和链状酮,-不饱和酮二酮芳酮类ArCO172517051690167516401540169016805.805.865.925.976.106.495.886.1
5、45.925.95CO与CC共轭向低频移动谱带较宽二芳基酮1-酮基-2-羟基(或氨基)芳酮脂环酮四环元酮五元环酮六元、七元环酮1670166016651635177517501740174517255.996.026.016.125.635.715.755.735.80九、羧酸类(COOH)OH弯(面外)3400250017401650143013009509002.944.005.756.066.997.6910.5311.11在稀溶液中,单体酸为锐峰在3350cm-1;二聚体为宽峰,以3000cm-1为中心脂肪酸RCOOH,-不饱和酸芳酸1725170017051690170016505.
6、805.885.875.915.886.06氢键十、酸酐链酸酐CO伸(反称)CO伸(对称)1850180017801740117010505.415.565.625.758.559.52共轭时每个谱带降20 cm-1环酸酐(五元环)1870182018001750130012005.355.495.565.717.698.33共轭时每个谱带降20cm-1十一、酯类CO伸(泛频)345017701720128011002.905.655.817.819.09多数酯CO伸缩振动正常饱和酯,-不饱和酯-内酯-内酯(饱和)-内酯174417391720175017351780176018205.735
7、.755.815.715.765.625.685.50十二、胺NH伸NH弯(面内)CN伸NH弯(面外)16501550134010209006506.066.457.469.8011.115.4伯胺强,中;仲胺极弱伯胺类仲胺类叔胺类NH伸(反称、对称)CN伸(芳香)3500340016501590350033001650155013501020136010202.862.946.066.292.863.036.066.457.419.807.359.80中、中强、中极弱双峰一个峰十三、酰胺(脂肪与芳香酰胺数据类似)350031001680163016401550142014002.863.22
8、5.956.136.106.457.047.14伯酰胺双峰仲酰胺单峰谱带谱带谱带伯酰胺仲酰胺叔酰胺NH伸 (反称)(对称)NH弯(剪式)NH2面内摇NH2面外摇NH弯+CN伸CN伸+NH弯335031801680165016501620115075060032701570151513101200167016302.983.145.956.066.066.158.701.331.673.096.376.607.638.335.996.13两峰重合十四、氰类化合物脂肪族氰、芳香氰、不饱和氰CN伸2260224022402220223522154.434.464.464.514.474.52十五、硝
9、基化合物RNO2ArNO2NO2伸(反称)NO2伸(对称)159015301390135015301510135013306.296.547.197.416.546.627.417.52红外波谱分子被激发后,分子中各个原子或基团(化学键)都会产生特征的振动,从而在特点的位置会出现吸收。相同类型的化学键的振动都是非常接近的,总是在某一范围内出现。常见官能团的红外吸收频率键型化合物类型吸收峰位置/cm-1吸收强度C-H烷烃29602850=C-H烯烃及芳烃31003010中等C-H炔烃3300-C-C-1200700-C=C-烯烃16801620不定CC22002100C=O醛17401720酮1
10、7251705酸及酯17701710酰胺16901650-OH醇及酚36503610不定,尖锐氢键结合的醇及酚34003200强,宽-NH2胺35003300中等,双峰C-X氯化物750700溴化物700500整个红外谱图可以分为两个区,40001350区是由伸缩振动所产生的吸收带,光谱比较简单但具有强烈的特征性,1350650处指纹区。通常,40002500处高波数端,有与折合质量小的氢原子相结合的官能团O-H, N-H, C-H, S-H键的伸缩振动吸收带,在2500-1900波数范围内常常出现力常数大的三件、累积双键如:- CC-,- CN, -C=C=C-, -C=C=O, -N=C=O等的伸缩振动吸收带。在1900以下的波数端有-C=C-, -C=O, -C=N-, -C=O等的伸缩振动以及芳环的骨架振动。1350650指纹区处,有C-O, C-X的伸缩振动以及C-C的骨架振动,还有力常数较小的弯曲振动产生的吸收峰,因此光谱非常复杂。该区域各峰的吸收位置受整体分子结构的影响较大,分子结构稍有不同,吸收也会有细微的差别,所以指纹区对于用已知物来鉴别未知物十分重要。