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

Science ◽  
2017 ◽  
Vol 357 (6358) ◽  
pp. 1370-1375 ◽  
Author(s):  
Prateek Puri ◽  
Michael Mills ◽  
Christian Schneider ◽  
Ionel Simbotin ◽  
John A. Montgomery ◽  
...  

Hypermetallic alkaline earth (M) oxides of formula MOM have been studied under plasma conditions that preclude insight into their formation mechanism. We present here the application of emerging techniques in ultracold physics to the synthesis of a mixed hypermetallic oxide, BaOCa+. These methods, augmented by high-level electronic structure calculations, permit detailed investigation of the bonding and structure as well as the mechanism of its formation via the barrierless reaction of Ca (3PJ) with BaOCH3+. Further investigations of the reaction kinetics as a function of collision energy over the range 0.005 kelvin (K) to 30 K and of individual Ca fine-structure levels compare favorably with calculations based on long-range capture theory.

2012 ◽  
Vol 110 (19-20) ◽  
pp. 2513-2521 ◽  
Author(s):  
Daniel S. Lambrecht ◽  
Laura McCaslin ◽  
Sotiris S. Xantheas ◽  
Evgeny Epifanovsky ◽  
Martin Head-Gordon

2014 ◽  
Vol 16 (31) ◽  
pp. 16805-16814 ◽  
Author(s):  
Beni B. Dangi ◽  
Tao Yang ◽  
Ralf I. Kaiser ◽  
Alexander M. Mebel

Reaction dynamics and energetics of 4-methylphenyl radical with isoprene are reported under single collision condition at collision energy of 58 kJ mol−1 by exploiting the crossed molecular beam technique and electronic structure calculations.


2007 ◽  
Vol 46 (23) ◽  
pp. 10016-10021 ◽  
Author(s):  
David A. Dixon ◽  
Tsang-Hsiu Wang ◽  
Daniel J. Grant ◽  
Kirk A. Peterson ◽  
Karl O. Christe ◽  
...  

2013 ◽  
Vol 34 (26) ◽  
pp. 2293-2309 ◽  
Author(s):  
Evgeny Epifanovsky ◽  
Michael Wormit ◽  
Tomasz Kuś ◽  
Arie Landau ◽  
Dmitry Zuev ◽  
...  

2014 ◽  
Vol 16 (7) ◽  
pp. 3122-3133 ◽  
Author(s):  
Matthieu Sala ◽  
Oliver M. Kirkby ◽  
Stéphane Guérin ◽  
Helen H. Fielding

New insight into the nonadiabatic relaxation dynamics of aniline following excitation to its first three singlet excited states, 11ππ*, 11π3s/πσ* and 21ππ*.


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