Isotopologues of the NeHCl complex observed by chirped pulse Fourier transform microwave spectroscopy
Year: 2026
Type: article
Abstract: The weakly bound Ne·HCl van der Waals dimer is a prototype for studying large-amplitude motion in noncovalently bound systems. We report the microwave spectrum of eight isotopologues of Ne·HCl, five of which have not previously been observed by high-resolution spectroscopy. We examine trends in experimentally derived van der Waals stretching force constants and effective bond lengths that are strongly sensitive to isotopologue-dependent motional averaging along the hindered rotation coordinate. Finally, we report an updated semi-empirical three-dimensional morphed potential for the Ne·HCl dimer that is fitted to a large dataset including previous microwave, near-IR, and sub-millimeter wave data in addition to our new microwave data.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0308056
Language: English
Subfield: Spectroscopy
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
Funder: National Science Foundation
Awards: Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services, Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS), ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI), Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT), CAREER: Tiny Drops of Acid: Microwave Spectroscopy and Isomer-resolved IR Spectroscopy of Hydrohalic Acid-Water Clusters, Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI
OpenAlex ID: W7125393653
