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Metal-benzene and metal-CO bond energies in neutral and ionic C6H6Cr(CO)3 studied by threshold photoelectron-photoion coincidence spectroscopy and density functional theory.

Abstract:

photoelectron-photoion coincidence spectroscopy and density functional theory calculations have been used to investigate the dissociation kinetics of the benzene chromium tricarbonyl ion, BzCr(CO)3+ (Bz = C6H6). The dissociation of the BzCr(CO)3+ ion proceeds by the sequential loss of three CO and benzene ligands. The first and third CO and the benzene loss reactions were associated with metastable precursor ions (lifetimes in the microsecond range). By simulating the resulting asymmetric tim...

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Publication status:
Published

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Publisher copy:
10.1021/ja012630m

Authors


McGrady, JE More by this author
Journal:
Journal of the American Chemical Society
Volume:
124
Issue:
16
Pages:
4487-4494
Publication date:
2002-04-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:680970dd-55b4-4d1e-9406-dff24be23e40
Source identifiers:
50456
Local pid:
pubs:50456
Language:
English

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