High-resolution spectroscopy of induced chiral dimers: A study of the dimers of ethanol by Fourier transform microwave spectroscopy - art. no. 134324
High-resolution spectroscopy of induced chiral dimers: A study of the dimers of ethanol by Fourier transform microwave spectroscopy - art. no. 134324
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DOI：
10.1063/1.2049267
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发表时间：
2005-10-01
影响因子：
4.4
通讯作者：
Howard, BJ
中科院分区：
文献类型：
--
作者：
Hearn, JPI;Cobley, RV;Howard, BJ
我们提出了第一个记录的高分辨率光谱的诱导手性二聚体。用脉冲分子束傅里叶变换微波光谱仪研究了乙醇诱导手性二聚体的三种构象。这三个物种的正同位素转动常数分别为：（a）A=5113.826（5），B=1329.7214（4），C=1257.5151（3）MHz;（B）A=5086.459（5），B=1316.6508（4），C=1243.6329（4）MHz。A=4851.608（5），B=1369.7558（6），C=1243.4184（4）MHz。通过Kraitchman双取代分析和从头计算，所观察到的物种已被分配到计算结构。Kraitchman分析和拟合的离心畸变参数表明，在乙醇的二聚体中，氘键明显强于氢键。(c)2005年美国物理学会。
We present the first recording of the high-resolution spectrum of an induced chiral dimer. Three conformers of the induced chiral dimers of ethanol have been observed using a pulsed molecular-beam Fourier transform microwave spectrometer. The rotational constants of the normal isotopomers of the three species have been determined to be (a) A=5113.826(5), B=1329.7214(4), and C=1257.5151(3) MHz, (b) A=5086.459(5), B=1316.6508(4), and C=1243.6329(4) MHz, and (c) A=4851.608(5), B=1369.7558(6), and C=1243.4184(4) MHz. The observed species have been assigned to calculated structures via Kraitchman double substitution analyses and ab initio calculations. The Kraitchman analyses and the fitted centrifugal distortion parameters suggest that the deuterium bond is significantly stronger than the hydrogen bond in the dimers of ethanol. (c) 2005 American Institute of Physics.