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Electronic structure and gas-phase thermolysis of 4-substituted 3,3,5,5-Tetramethyl-3,5-dihydro-4H-pyrazoles studied by photoelectron spectroscopy. First evidence for an alkylideneselenirane

✍ Scribed by Heidi M. Muchall; Klaus Kowski; Paul Rademacher; Andreas Fuss; Ralf Neuberger; Helmut Quast; Peter Komnick; Wolfram Sander

Publisher: Elsevier Science
Year: 1996
Tongue: French
Weight: 1007 KB
Volume: 52
Category: Article
ISSN: 0040-4020
DOI: 10.1016/0040-4020(95)01125-0

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## Abstract The PE spectra of the 4,5‐dihydro‐3__H__‐pyrazoles 1, 2, of 2,5‐dihydro‐1,3,4‐oxadiazole 3, and 2,5‐dihydro‐1,3,4‐thiadiazole 4 have been recorded. Based on HAM/3, MNDO, AM1, and PM3 calculations, the ionization potentials have been assigned to molecular orbitals. The gas‐phase thermoly