PMID- 20017531
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20100521
LR  - 20100304
IS  - 1520-5215 (Electronic)
IS  - 1089-5639 (Linking)
VI  - 114
IP  - 9
DP  - 2010 Mar 11
TI  - Determination of ionization energies of small silicon clusters with vacuum 
      ultraviolet radiation.
PG  - 3176-81
LID - 10.1021/jp9091688 [doi]
AB  - In this work we report on single photon vacuum ultraviolet photoionization of 
      small silicon clusters (n = 1-7) produced via laser ablation of Si. The adiabatic 
      ionization energies (AIE) are extracted from experimental photoionization 
      efficiency (PIE) curves with the help of Franck-Condon simulations, used to 
      interpret the shape and onset of the PIE curves. The obtained AIEs are (all 
      energies are in eV) Si (8.13 +/- 0.05), Si(2) (7.92 +/- 0.05), Si(3) (8.12 +/- 
      0.05), Si(4) (8.2 +/- 0.1), Si(5) (7.96 +/- 0.07), Si(6) (7.8 +/- 0.1), and Si(7) 
      (7.8 +/- 0.1). Most of the experimental AIE values are in good agreement with 
      density functional electronic structure calculations. To explain observed 
      deviations between the experimental and theoretical AIEs for Si(4) and Si(6), a 
      theoretical search of different isomers of these species is performed. Electronic 
      structure calculations aid in the interpretation of the a(2)Pi(u) state of 
      Si(2)(+) dimer in the PIE spectrum. Time-dependent density functional theory 
      calculations are performed to reveal the energies of electronically excited 
      states in the cations for a number of Si clusters.
FAU - Kostko, Oleg
AU  - Kostko O
AD  - Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, 
      California 94720, USA.
FAU - Leone, Stephen R
AU  - Leone SR
FAU - Duncan, Michael A
AU  - Duncan MA
FAU - Ahmed, Musahid
AU  - Ahmed M
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Phys Chem A
JT  - The journal of physical chemistry. A
JID - 9890903
EDAT- 2009/12/19 06:00
MHDA- 2009/12/19 06:01
CRDT- 2009/12/19 06:00
PHST- 2009/12/19 06:00 [entrez]
PHST- 2009/12/19 06:00 [pubmed]
PHST- 2009/12/19 06:01 [medline]
AID - 10.1021/jp9091688 [doi]
PST - ppublish
SO  - J Phys Chem A. 2010 Mar 11;114(9):3176-81. doi: 10.1021/jp9091688.