波谱IR.pptVIP

Chapter 2 教学目的和要求 2.1红外光谱基本知识 3-甲基己烷的IR 3-甲基己烷的IR 3-甲基己烷的IR IR light Electromagnetic rays 红外线是电磁波谱中的一段，介于可见 区和微波区之间。在整个电磁波谱中红 外波段的热功率最大，红外辐射主要是 热辐射。 红外光常用单位：微米?m和波数cm-1 Characteristics: pass straight through some substances; reflected by others; absorbed by the rest. Based upon the wavenumber, infrared light can be categorized as far infrared (4 ~ 400cm-1), mid infrared (400 ~ 4,000cm-1) and near infrared (4,000 ~ 14,000cm-1). IR Range 红外光谱法 当样品受到频率连续变化的红外光照射时，分子吸收某些频率的辐射，并由其振动或转动运动引起偶极矩的净变化，产生分子振动和转动能级从基态到激发态的跃迁，使相应于这些吸收区域的透射光强度减弱。记录红外光的百分透射比与波数或波长关系曲线，就得到红外光谱。 红外光谱产生的条件 1. 分子在振动过程中能引起瞬间偶极矩的变化。 2. 红外照射频率与分子振动频率相匹配。 2.2 分子振动和特征振动频率 红外光可以使样品分子发生振动和转动，故红外光谱又称为振-转光谱。 分子在振动和转动过程中只有伴随净的偶极矩变化的键才有红外活性。因为分子振动伴随偶极矩改变时，分子内电荷分布变化会产生交变电场，当其频率与入射辐射电磁波频率相等时才会产生红外吸收。h? = △E振（共振） 分子振动模型 Basic principle Infrared spectroscopy detects the vibration characteristics of chemical functional groups in a sample. When an infrared light interacts with the matter, chemical bonds will stretch, contract and bend. As a result, a chemical functional group tends to adsorb infrared radiation in a specific wavenumber range regardless of the structure of the rest of the molecule. (eg. C=O stretch , at around 1700cm-1 ) Hence, the correlation of the band wavenumber position with the chemical structure is used to identify a functional group in a sample. The wavenember positions where functional groups adsorb are consistent, despite the effect of temperature, pressure, sampling, or change in the molecule structure in other parts of the molecules. Thus the presence of specific functional groups can be monitored by these types of infrared bands, which are called group wavenumbers. 多原子分子的红外吸收频率 多原子分子有多种振动模式： 非线性分子的振动：3n-6个自由度（基本振动） 线性分子的振动： 3n-5个自由度（基本 振动） H2O分子的振动自由度和IR In the IR region of the electromagnetic spectrum, the absorption of radiation by a sample is due to changes in the vibrational energy states of a molecule. Carbon Monoxide Spectrum 吸收带的类型 1）基频