ISSN:
1434-1948
Keywords:
Ab initio calculations
;
Electronic structure
;
Photoelectron spectroscopy
;
Chemistry
;
General Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The electronic structure of the title compound 1 has been investigated by UV photoelectron spectroscopy and quantum chemical calculations. 1 has two nearly degenerate nN lone-pair orbitals which form the two highest occupied MOs. The third highest occupied MO is mainly localized at the oxygen atom (n0). All calculations indicate that the molecule has a twisted C2 conformation.
Type of Medium:
Electronic Resource
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