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Cold Chemical Reactions Between Molecular Ions and Neutral Atoms

Jesús Pérez‐Ríos

Springer eBooksJan 1, 20201 citation

Studying cold collisions and reactions in a hybrid atom-ion trap: towards ultracold molecular ions

Christian Schneider, Steven J. Schowalter, Kuang Chen +3 more

Bulletin of the American Physical SocietyJun 4, 20140 citations

Charge Exchange Dynamics in Cold Collisions of 40CaH+ and 39K

Swapnil Patel, Dibyendu Sardar, Jyothi Saraladevi +2 more

Abstract We report the observation of charge-exchange collisions between trapped calcium monohydride molecular ions (40CaH+) and ultracold potassium atoms (39K) in a hybrid ion-atom trap. The measured charge-exchange rate coefficient is significantly suppressed relative to the Langevin rate constant for the system. We use ab initio quantum-chemical calculations to model the (CaH-K)+ complex in the ground and excited electronic states and to identify possible charge-exchange mechanisms. Our calculations rule out a direct nonradiative charge-exchange reaction and instead point to a radiative mechanism, but do not quantitatively reproduce the measured rate, highlighting the need for a full-dimensional quantum dynamics treatment that includes vibrational motion and intermediate complex formation. Our work demonstrates that cold hybrid ion-atom platforms with molecular ions enable access to richer chemical complexity and collisional dynamics inaccessible in purely atomic systems.Abstract We report the observation of charge-exchange collisions between trapped calcium monohydride molecular ions (40CaH+) and ultracold potassium atoms (39K) in a hybrid ion-atom trap. The measured charge-exchange rate coefficient is significantly suppressed relative to the Langevin rate constant for the system. We use ab initio quantum-chemical calculations to model the (CaH-K)+ complex in the ground and excited electronic states and to identify possible charge-exchange mechanisms. Our calculations rule out a direct nonradiative charge-exchange reaction and instead point to a radiative mechanism, but do not quantitatively reproduce the measured rate, highlighting the need for a full-dimensional quantum dynamics treatment that includes vibrational motion and intermediate complex formation. Our work demonstrates that cold hybrid ion-atom platforms with molecular ions enable access to richer chemical complexity and collisional dynamics inaccessible in purely atomic systems.

arXiv:2602.09142The Journal of Physical Chemistry LettersJun 3, 20260 citations

Synthesis of mixed hypermetallic oxide BaOCa + from laser-cooled reagents in an atom-ion hybrid trap

Prateek Puri, Michael Mills, Christian Schneider +5 more

A chilly meeting of barium and calcium The periodic table is an excellent predictor of element ratios in chemical compounds that form at temperatures that we commonly experience, give or take a factor of 10. Strange things start happening at hot and cold extremes, though. Puri et al. take advantage of extreme cold to observe the formation of the BaOCa + ion, an electron-deficient alternative to conventional binary barium or calcium oxides. They first prepared cold barium methoxide ions and then exposed them to calcium atoms cooled to thousandths of a kelvin. Mass spectral and theoretical analyses revealed a barrierless reaction pathway in which triplet-state calcium displaces the methyl group. Science , this issue p. 1370A chilly meeting of barium and calcium The periodic table is an excellent predictor of element ratios in chemical compounds that form at temperatures that we commonly experience, give or take a factor of 10. Strange things start happening at hot and cold extremes, though. Puri et al. take advantage of extreme cold to observe the formation of the BaOCa + ion, an electron-deficient alternative to conventional binary barium or calcium oxides. They first prepared cold barium methoxide ions and then exposed them to calcium atoms cooled to thousandths of a kelvin. Mass spectral and theoretical analyses revealed a barrierless reaction pathway in which triplet-state calcium displaces the methyl group. Science , this issue p. 1370

arXiv:1709.02399ScienceSep 8, 201770 citations

Cold chemistry in high density atom-ion environments

Jesús Pérez‐Ríos, Artjom Krükow, Amir Mohamadi +4 more

Bulletin of the American Physical SocietyJun 11, 20150 citations

Study of Cold Phase Chemistry Using a Hybrid Atom-Ion Setup

Kisra Egodapitiya, Jyothi Saraladevi, Zhubing Jia +4 more

Bulletin of the American Physical SocietyMay 30, 20180 citations

Study of Cold Potassium Atom - Calcium Ion Reactions

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