What question did this study set out to answer?

To measure the pure rotational spectrum of the HCl–DCl heterodimer and investigate hydrogen bond rearrangement dynamics driven by quantum tunneling.

June 6, 2025The Journal of Chemical PhysicsOpen Access

Chirped-pulse Fourier transform microwave spectrum of the HCl–DCl heterodimer

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To measure the pure rotational spectrum of the HCl–DCl heterodimer and investigate hydrogen bond rearrangement dynamics driven by quantum tunneling.
Measured the pure rotational spectrum of the mixed dimer using chirped-pulse Fourier transform microwave spectroscopy.
Extracted nuclear quadrupole coupling constants to probe the structural orientation and tunneling behavior.
Compared experimental data with theoretical wavefunction calculations derived from model and ab initio potential energy surfaces.
Observed a distinct structural preference for deuterium to act as the hydrogen bond donor rather than hydrogen.
Determined from quadrupole coupling constants that substantial geared tunneling persists despite isotopic substitution.
Showed that approximately 14% of the probability density distribution resides in the higher-energy, less stable DCl–HCl configuration.

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Implication

Microwave spectroscopy reveals geared tunneling in the HCl–DCl heterodimer, indicating significant probability density distribution in the less stable configuration.

Cite This Study

Ali et al. (2025) studied this question.

synapsesocial.com/papers/69da66de0f778bd2e4684c90 https://doi.org/10.1063/5.0273758

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Implication

Microwave spectroscopy reveals geared tunneling in the HCl–DCl heterodimer, indicating significant probability density distribution in the less stable configuration.

Chirped-pulse Fourier transform microwave spectrum of the HCl–DCl heterodimer

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Discussion

Implication

Cite This Study

Chirped-pulse Fourier transform microwave spectrum of the HCl–DCl heterodimer

Key Points

Discussion

Implication

Cite This Study

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