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对称陀螺型叔丁基分子(t)BuX(X = F、Cl、Br、I、CN和NC)的气相电偶极矩

The Gas-Phase Electric Dipole Moments of the Symmetric Top Tertiary Butyl Molecules (t)BuX, X=F, Cl, Br, I, CN, and NC.

作者信息

Kisiel Z., Bialkowska-Jaworska E., Desyatnyk O., Pietrewicz B. A., Pszczólkowski L.

机构信息

Polish Academy of Sciences, Institute of Physics, Al. Lotników 32/46, Warsaw, 02-668, Poland

出版信息

J Mol Spectrosc. 2001 Jul;208(1):113-120. doi: 10.1006/jmsp.2001.8349.

DOI:10.1006/jmsp.2001.8349
PMID:11437560
Abstract

The electric dipole moments of symmetric top tertiary butyl derivatives were determined from Stark effect measurements made with cavity Fourier transform microwave spectroscopy under conditions of supersonic expansion. The resulting values are 1.9562(15), 2.1817(16), 2.2574(17) and 2.2122(17) D for tertiary butyl fluoride, chloride, bromide, and iodide, and 4.0129(30), and 4.0640(31) for tertiary butyl cyanide and isocyanide, respectively. The experimental values are compared with ab initio calculations and with experimental and calculated dipole moments for the corresponding methyl derivatives. Copyright 2001 Academic Press.

摘要

在超声速膨胀条件下,利用腔傅里叶变换微波光谱法通过斯塔克效应测量确定了对称陀螺叔丁基衍生物的电偶极矩。对于叔丁基氟、氯、溴和碘,所得值分别为1.9562(15)、2.1817(16)、2.2574(17)和2.2122(17)德拜;对于叔丁基氰和异氰化物,分别为4.0129(30)和4.0640(31)德拜。将实验值与从头算计算结果以及相应甲基衍生物的实验和计算偶极矩进行了比较。版权所有2001年学术出版社。

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引用本文的文献

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