ISSN:
0009-2940
Keywords:
6,7,8,9-Tetrafluoro-1,3,5,2,4-benzotrithiadiazepine
;
1,2,3,4-Tetrafluoro-5,6-bis(1-trimethylsilyl-2,4-dithia-1,3-diaza-1,2-butadien-4-yl)benzene
;
Photoelectron spectroscopy
;
Semiempirical calculations
;
Nitrogen heterocycles
;
Sulfur heterocycles
;
Fluorine compounds
;
Chemistry
;
Inorganic Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The 14π-electron title compound 7 has been synthesized by two different ring-closure approaches. Its structure has been determined by X-ray diffraction to be planar within ±0.018 Å. The He(I) photoelectron spectrum of the title compound is assigned by Koopmans' correlation with PM3 eigenvalues based on the structural data, and by the π-perfluoro effect observed. The π-system can be rationalized y heteroatom first-order perturbation, which reduces the cycli π-delocalization. Replacement of the four fluorine substituents by hydrogen affects neither the long-wavelength absorption band in the UV/Vis spectrum nor the δ15N shift in the 15N-NMR spectrum. The synthesis of 20π-electron heterocycles related to the title compound has been attempted.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cber.19971300218
Permalink