Diethyl disulfide was investigated by pulsed jet Fourier transform microwave spectroscopy. The spectroscopic study was complemented by ab initio calculations. The first two most stable conformers predicted at the MP2/6-311++G(d,p) level of theory were observed in the supersonic expansion. Two ¹³C and one ³⁴S isotopologues for the most stable conformer (GGG) and two ³⁴S isotopes for the second most stable form (GGG′) were also assigned in natural abundance, respectively, allowing a thorough investigation of the molecular structure and conformation. The relative population ratio of the two conformers in the supersonic expansion was estimated to be about 4:1.

中文翻译：

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二乙基二硫中的二硫键：旋转光谱研究

通过脉冲喷射傅里叶变换微波光谱法研究了二乙基二硫化物。光谱研究得到了从头算的补充。在超音速膨胀中观察到在MP2 / 6-311 ++ G（d，p）理论水平预测的前两个最稳定的构象异构体。两个¹³ C和一个³⁴为最稳定的构象小号同位素（GGG）和两个³⁴小号同位素用于第二最稳定的形式（GGG '）也分配在天然丰度，分别使分子结构和构象的彻查。在超声速膨胀中两个构象体的相对种群比估计为约4：1。