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Chirality Induced in Tetraethyllead through Noncovalent Interactions with a Chiral Tag
Wenhao Sun1, Steffen M Giesen2, Robert Berger2
1Deutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Journal of the American Chemical Society
|February 6, 2026
Summary
Researchers studied lead-containing complexes using microwave spectroscopy. They identified the structure of tetraethyllead-2-(trifluoromethyl)oxirane dimers and trimers, providing insights into heavy atom interactions and quantum chemistry methods.
Area of Science:
- Physical Chemistry
- Spectroscopy
- Computational Chemistry
Background:
- Weakly bound complexes offer insights into intermolecular forces.
- Lead (Pb) complexes are challenging to study due to their properties.
- Quantum-chemical methods are crucial for understanding heavy element interactions.
Purpose of the Study:
- To investigate the structure and properties of weakly bound complexes containing lead.
- To identify the global minimum configuration of the tetraethyllead-2-(trifluoromethyl)oxirane dimer.
- To evaluate the accuracy of quantum-chemical methods for heavy-atom systems.
Main Methods:
- Broadband chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in a supersonic jet.
- Quantum-chemical calculations, including theoretical isomer searches.
- Observation of isotopologues (206/207/208Pb and 20/22Ne) to confirm assignments.
Main Results:
- Identified the global-minimum configuration of the tetraethyllead-2-(trifluoromethyl)oxirane dimer and its isotopologues.
- Observed the tetraethyllead-2-(trifluoromethyl)oxirane-Ne trimer, confirming dimer assignment.
- Calculated parity-violating effects in the chiral lead complex.
Conclusions:
- The study provides an experimental benchmark for quantum-chemical methods, especially concerning relativistic effects and noncovalent interactions.
- The identified structure of the lead complex offers fundamental data for physical chemistry.
- Investigated parity nonconservation in heavy-atom containing weakly bound complexes.
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