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首页> 外文期刊>The Astrophysical Journal. Supplement Series >Precise laboratory measurements of trans-DCOOH and trans-HCOOD for astrophysical observations
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Precise laboratory measurements of trans-DCOOH and trans-HCOOD for astrophysical observations

机译：反式DCOOH和反式HCOOD的精确实验室测量，用于天体观测

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摘要

The rotational spectra of the mono-deuterated isotopologues of trans-formic acid, trans-DCOOH and trans-HCOOD, were investigated. In the millimeter- and submillimeter-wave frequency regions the Lamb-dip technique was exploited to obtain sub-Doppler resolution and to resolve the hyperfine structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hyperfine constants. The experimental determination was supported by high-level quantum-chemical calculations at the coupled-cluster level of theory using large atomic-orbital basis sets. The Lamb-dip measurements were also supplemented by THz Doppler-limited measurements in order to extend the predictive capability of the available spectroscopic parameters to higher frequencies.
机译：研究了反式甲酸，反式-DCOOH和反式-HCOOD的单氘代同位素的旋转光谱。在毫米波和亚毫米波频率范围内，利用Lamb-dip技术获得亚多普勒分辨率并解析了氘和氢核所致的超细结构，从而能够准确确定相应的超细常数。实验确定得到了使用大原子轨道基集的理论在耦合簇级别的高级量子化学计算的支持。 Lamb-dip测量值还通过THz多普勒限制测量值进行了补充，以将可用光谱参数的预测能力扩展到更高的频率。

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