KOPS - Das Institutionelle Repositorium der Universität Konstanz

Rings and chains in sulfur cluster anions S- to S9- : theory (simulated annealing) and experiment (photoelectron detachment)

Rings and chains in sulfur cluster anions S- to S9- : theory (simulated annealing) and experiment (photoelectron detachment)

Zitieren

Dateien zu dieser Ressource

Prüfsumme: MD5:e1ab5137f17ee828f97e9c0ff1b6e0ef

HUNSICKER, Stefan, Robert O. JONES, Gerd GANTEFÖR, 1995. Rings and chains in sulfur cluster anions S- to S9- : theory (simulated annealing) and experiment (photoelectron detachment). In: Journal of Chemical Physics. 102(15), pp. 5917-5936

@article{Hunsicker1995Rings-5137, title={Rings and chains in sulfur cluster anions S- to S9- : theory (simulated annealing) and experiment (photoelectron detachment)}, year={1995}, doi={10.1063/1.469326}, number={15}, volume={102}, journal={Journal of Chemical Physics}, pages={5917--5936}, author={Hunsicker, Stefan and Jones, Robert O. and Ganteför, Gerd} }

2011-03-24T14:53:27Z eng 2011-03-24T14:53:27Z Rings and chains in sulfur cluster anions S- to S9- : theory (simulated annealing) and experiment (photoelectron detachment) Jones, Robert O. application/pdf 1995 deposit-license Hunsicker, Stefan Density functional calculations with simulated annealing have been performed for singly charged anions of sulfur clusters with up to nine atoms. The calculations predict the existence of two classes of structure: open (chain-like) and closed (ring-like), for which the vertical detachment energies (VDE) and the adiabatic electron affinities for transitions to states of the neutral clusters show pronounced differences. These calculations are complemented by photoelectron detachment measurements on sulfur cluster ions with up to 11 atoms using a pulsed arc cluster ion source (PACIS). The measurements provide unambiguous evidence for the existence of two types of isomers in both S<sub>6</sub><sup> - </sup> and S<sub>7</sub><sup> - </sup>. Although ring structures are generally energetically more stable than chain structures, the environment used to generate the larger clusters (n>~7) favors the formation of the latter. The measured VDE and vibration frequencies agree well with the calculated values. Ganteför, Gerd Ganteför, Gerd Jones, Robert O. Hunsicker, Stefan First publ. in: Journal of Chemical Physics 102 (1995), 15, pp. 5917-5936

Dateiabrufe seit 01.10.2014 (Informationen über die Zugriffsstatistik)

JChemPhys102199515.pdf 81

Das Dokument erscheint in:

KOPS Suche


Stöbern

Mein Benutzerkonto