Electronic structure of nonacarbonylbis(.mu.3-fluoromethylidyne)triiron by means of UV photoelectron spectroscopy and DV-X.alpha. quantum-mechanical calculations

1987 ◽  
Vol 26 (3) ◽  
pp. 465-467 ◽  
Author(s):  
Maurizio Casarin ◽  
David Ajo ◽  
Dieter Lentz ◽  
Renzo Bertoncello ◽  
Gaetano Granozzi
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Uv Photoelectron Spectroscopy

The electronic structure of a diarsaallene –AsCAs– and a phosphaarsaallene –PCAs–: UV photoelectron spectroscopy and theoretical studies

2004 ◽  
Vol 690 (1-3) ◽  
pp. 53-61 ◽  
Author(s):  
Karinne Miqueu ◽  
Jean-Marc Sotiropoulos ◽  
Patrick Baylère ◽  
Sylvie Joantéguy ◽  
Geneviève Pfister-Guillouzo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Theoretical Studies ◽  
Uv Photoelectron Spectroscopy

UPS Study of Spirosilane

2003 ◽  
Vol 58 (4) ◽  
pp. 217-219
Author(s):  
Igor Novak ◽  
Branka Kovač
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Orbital Degeneracy ◽  
Related Compounds ◽  
Uv Photoelectron Spectroscopy

The electronic structure of 2,7-dimethyl-5-silaspiro[4,4]nona-2,7-diene has been investigated by UV photoelectron spectroscopy (UPS). The analysis of the spectra has been performed by DFT and ROVGF calculations and comparison with the UPS spectra of related compounds. An unusual π-orbital degeneracy in this molecule of C2-symmetry was observed. The spiroconjugation is quenched, and the reasons are discussed.

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