Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps | Zendy

F. Calvo | Zendy; E. Yurtsever | Zendy; David J. Wales | Zendy

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Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps

Author(s) -

F. Calvo,

E. Yurtsever,

David J. Wales

Publication year - 2012

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.3673318

Subject(s) - isotropy , cluster (spacecraft) , relaxation (psychology) , chemistry , ion , molecular physics , chemical physics , arrhenius equation , atomic physics , activation energy , homogeneous , physics , thermodynamics , optics , psychology , social psychology , computer science , programming language , organic chemistry

The energy landscapes of ion clouds confined in isotropic quadrupolar and octupolar traps are characterized for several representative cluster sizes. All clusters exhibit stable multishell structures that belong to separate funnels. Quadrupolar confinement leads to more homogeneous clusters and denser distributions of isomers than octupolar confinement. Statistical analysis of the transition states indicates that the barriers associated with intrashell motion are lower but more asymmetric and more cooperative compared to intershell motion. The relaxation between low-energy funnels with different arrangements of shells mostly exhibits Arrhenius kinetics, with a weak variation of the activation energy at higher temperatures. [ABSTRACT FROM AUTHOR

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