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Titolo:
Theoretical study of the rearrangement of Ag(NH3)(2) after electronic excitation. Comparison with Na(NH3)(2)
Autore:
Dubois, V; Archirel, P; Maitre, P;
Indirizzi:
Univ Paris Sud, Chim Phys Lab, F-91405 Orsay, France Univ Paris Sud Orsay France F-91405 Chim Phys Lab, F-91405 Orsay, France
Titolo Testata:
CHEMICAL PHYSICS LETTERS
fascicolo: 1-2, volume: 323, anno: 2000,
pagine: 1 - 6
SICI:
0009-2614(20000609)323:1-2<1:TSOTRO>2.0.ZU;2-1
Fonte:
ISI
Lingua:
ENG
Soggetto:
CLUSTERS; IONIZATION; AGNH3;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
18
Recensione:
Indirizzi per estratti:
Indirizzo: Archirel, P Univ Paris Sud, Chim Phys Lab, Bat 350, F-91405 Orsay, France Univ Paris Sud Bat 350 Orsay France F-91405 405 Orsay, France
Citazione:
V. Dubois et al., "Theoretical study of the rearrangement of Ag(NH3)(2) after electronic excitation. Comparison with Na(NH3)(2)", CHEM P LETT, 323(1-2), 2000, pp. 1-6

Abstract

Ab initio CASPT2 calculations show that the Ag(NH3)(2) cluster displays two isomers (surface and interior), both in its ground and first excited states. In the ground state the surface structure is slightly preferred, whereas in the three first (quasidegenerate) excited states the interior structure is strongly preferred, like in the ionic cluster. This feature explains the fall of the ion signal observed ton the ns scale) in the R2PI spectrum: the signal vanishes as the excited cluster passes the isomerisation barrier. Comparison with the Na(NH3)(2) system is made. (C) 2000 Elsevier Science B.V. All rights reserved.

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Documento generato il 25/11/20 alle ore 10:12:36