The vibrational spectra of amides—Dimethyl formamide
The vibrational spectra of amides—Dimethyl formamide
复制标题
酰胺的振动光谱——二甲基甲酰胺
DOI：
10.1016/0022-2852(82)90077-7
复制
发表时间：
1982
影响因子：
1.4
通讯作者：
D. Steele
中科院分区：
文献类型：
--
作者：
T. Jao;I. Scott;D. Steele
测定了二甲基甲酰胺-h7、DMF-d 6、DMF-d 7、（CH_3）_（214）H_（13）CHO和（CH_3）_（215）N_（12）CHO的拉曼和红外光谱。的振动频率的计算进行了使用力场的基础上从头计算采用高斯轨道最小基组（STO 3G）。根据结果进行了分析。大多数功能，如汽相带轮廓和质量灵敏度的模式似乎充分解释。一个例外是碳酰伸缩模式对氘代氢的氘代缺乏敏感性。这与计算结果相反。
The Raman and infrared spectra of dimethyl formamide-h7, DMF-d6, DMF-d7, (CH3)214H13CHO, and (CH3)215N12CHO were measured. Calculations of the vibrational frequencies were carried out using a force field based on ab initio calculations employing a Gaussian orbital minimal basis set (STO 3G). Assignments are made based on the results. Most features such as vapor phase band contours and mass sensitivity of the modes seem adequately explained. One exception is a lack of sensitivity of the cabonyl stretching mode to deuteration of the aldehydic hydrogen. This is contrary to results of the calculations.