VIBRATIONAL-SPECTRA AND CONFORMATIONS OF CYCLOPROPYLAMINE
VIBRATIONAL-SPECTRA AND CONFORMATIONS OF CYCLOPROPYLAMINE
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DOI：
10.1021/j100467a016
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发表时间：
1979-01-01
影响因子：
--
通讯作者：
HARRIS, WC
中科院分区：
文献类型：
--
作者：
KALASINSKY, VF;POWERS, DE;HARRIS, WC
气态、液态和固态环丙胺的红外 (4000-150 cm" 1) 和拉曼 (4000-50 cm" 1) 光谱以及基质分离样品的红外光谱已被记录。所有相的振动光谱与先前微波研究表明的具有反式至环CC键的NH2基团的构象异构体的优势一致。反式环丙胺的扭转模式已在 254 cm" 1 处观察到，与该低频基波相关的热带在整个气相光谱中都很明显。有许多弱带可归因于第二构象异构体，并且对 gauche-环丙胺的扭转转变的分配允许计算合适的内旋转势函数。AH 的导出值为 592 cm" 1，这与进行的变温研究一致对于液态和气态。根据适用于环丙基环化合物的键合方案讨论了内旋转异构现象。
The infrared (4000-150 cm" 1) and Raman (4000-50 cm" 1) spectra of gaseous, liquid, and solid cyclopropylamine have been recorded along with the infrared spectra of matrix-isolated samples. The vibrational spectra of all phases are consistent with the predominance of a conformer having the NH2 group trans to the ring CC bonds as suggested by previous microwave studies. The torsional mode for trans-cyclopropylamine has been observed at 254 cm" 1, and hot bands associated with this low-frequency fundamental are apparent throughout the spectra of the vapor phase. There are a number of weak bands which can be attributed to a second conformer, and the assignment of torsional transitions for gauche-cyclopropylamine has allowed the calculation of a suitable potential function for internal rotation. The derivedvalue for AH is 592 cm” 1, and this is consistent with variable temperature studies carried out for the liquid and vapor states. The internal rotational isomerism is discussed in terms of the bonding schemes which are applicable to cyclopropyl ring compounds.