Structure and spectroscopy of phosphorus cluster anions: Theory (simulated annealing) and experiment (photoelectron detachment) | Zendy

R. Jones | Zendy; Gerd Ganteför | Zendy; S. Hunsicker | Zendy; Peter Pieperhoff | Zendy

Open Access

Structure and spectroscopy of phosphorus cluster anions: Theory (simulated annealing) and experiment (photoelectron detachment)

Author(s) -

R. Jones,

Gerd Ganteför,

S. Hunsicker,

Peter Pieperhoff

Publication year - 1995

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 - 10.1063/1.469969

Subject(s) - trimer , x ray photoelectron spectroscopy , cluster (spacecraft) , ion , chemistry , dimer , annealing (glass) , atomic physics , ultraviolet photoelectron spectroscopy , chemical physics , molecular physics , electronic structure , computational chemistry , materials science , nuclear magnetic resonance , physics , organic chemistry , computer science , programming language , composite material

Photoelectron detachment measurements have been performed on singly charged phosphorus cluster anions with up to nine atoms, generated by a pulsed arc cluster ion source (PACIS). Transitions between the anion ground states and states of the neutral clusters are observed for all clusters, and vibrational fine structure in both dimer and trimer. A comparison with the results of density functional calculations with simulated annealing—an extension to negative ions of earlier work on neutral and positively charged clusters—provides a consistent overall picture for all cluster sizes and the first experimental structural information on several.

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