Document Detail


Recoil frame photoelectron angular distributions of BF(3): A sensitive probe of the shape resonance in the F 1s continuum.
MedLine Citation:
PMID:  22360241     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
Recoil frame photoelectron angular distributions (RFPADs) of BF(3) molecules are presented over the energy region of the shape resonance in the F 1s continuum. Time-dependent density functional theory calculations are also given to understand the shape resonance dynamics. The RFPADs have been compared with the theoretical calculations. It is found that the RFPADs calculated by the localized core-hole model are in better agreement with the experimental, compared with those by the delocalized core hole. Dipole matrix elements and dipole prepared continuum wavefunctions show that the shape resonance in the F 1s ionization continuum of BF(3) is induced by p-partial waves as previously reported by Swanson et al. [J. Chem. Phys. 75, 619 (1981)]. However, due to the couplings with the other partial waves the feature characteristic of the p-partial waves has not been observed in the RFPADs.
Authors:
T Mizuno; J Adachi; N Miyauchi; M Kazama; M Stener; P Decleva; A Yagishita
Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  The Journal of chemical physics     Volume:  136     ISSN:  1089-7690     ISO Abbreviation:  J Chem Phys     Publication Date:  2012 Feb 
Date Detail:
Created Date:  2012-02-24     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0375360     Medline TA:  J Chem Phys     Country:  United States    
Other Details:
Languages:  eng     Pagination:  074305     Citation Subset:  IM    
Affiliation:
Photon Factory, Institute of Materials Structure Science, KEK, Oho 1-1, Tsukuba 305-0801, Japan.
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