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Microwave Spectrum and Molecular Structure of Etheneselenol

机译:乙烯醇的微波光谱和分子结构

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摘要

The rotational spectrum of etheneselenol was investigated in the microwave and millimeter-wave ranges. Two conformers of comparable stability were identified: the syn conformer, which is planar, and the gauche conformer. The experimental study has been coupled with some ab initio calculations, which greatly helped to the identification of the spectra. The etheneselenol-d (Se-D) was also investigated and the quadrupole coupling constants of deuterium determined.
机译:在微波和毫米波范围内研究了乙烯酚的旋转光谱。确定了两个具有相当稳定性的构象异构体:平面的syn构象异构体和gauche构象异构体。实验研究与一些从头算计算相结合,这极大地帮助了光谱的识别。还研究了乙烯酚-d(Se-D)并确定了氘的四极耦合常数。

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