研究目的
To report the gas-phase detection and spectroscopic characterisation of ethynethiol (HCCSH), a metastable isomer of thioketene (H2C2S), and to determine its molecular structure and formation pathway.
研究成果
The study successfully characterized the rotational spectrum of HCCSH from 10 to 660 GHz, determining its molecular structure and formation pathway. The highly exothermic reaction SH + C2H → HCCSH was identified as the likely formation mechanism. The results provide a foundation for astronomical searches for HCCSH and insights into the chemistry of small organosulfur molecules in interstellar environments.
研究不足
The study was limited by the frequency coverage of the experimental setups, particularly the output of the active multiplier chain units for the millimetre-wave experiments. Additionally, the detection of higher-energy isomers and their rotational spectra was not fully explored.
1：Experimental Design and Method Selection:
The study used a combination of Fourier-transform microwave and submillimetre-wave spectroscopies to detect and characterize HCCSH. Initial detection was made below 40 GHz using a supersonic expansion-electrical discharge source, followed by higher-frequency measurements using double resonance.
2：Sample Selection and Data Sources:
The study utilized a mixture of acetylene (HCCH) and hydrogen sulfide (H2S) diluted with neon, introduced into a discharge nozzle. Isotopic studies were performed using isotopically-enriched precursors.
3：List of Experimental Equipment and Materials:
A FT microwave spectrometer and a millimetre-wave absorption spectrometer were used. The setup included a discharge nozzle, microwave cavity, and a vacuum chamber for the FT microwave experiments, and a frequency multiplier source and a Si-bolometer detector for the millimetre-wave experiments.
4：Experimental Procedures and Operational Workflow:
The gas mixture was introduced into the discharge nozzle, and the resulting plasma was polarized with microwave radiation. The free-induction decay was detected and analyzed. For millimetre-wave experiments, the frequency was stepped to cover the predicted range of transitions.
5：Data Analysis Methods:
Spectroscopic parameters were determined using the SPFIT/SPCAT suite of programs, fitting the rotational transition frequencies to an S-reduced Hamiltonian.
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