Gas phase prototropic equilibrium studies of 2,4-dihydroxyquinoline by cndo/2 calculations, mass spectrometry and derivatization

Gas-Phase Thermolysis of Pyrazolines, 2[

Gas-Phase Thermolysis of Pyrazolines, 2[1]. Electronic Structure and Gas-Phase Thermolysis of 4,5-Dihydro-3H-pyrazoles Studied by Photoelectron Spectroscopy, Semiempirical Quantum-Chemical Calculations, and Flash Vacuum Pyrolysis

✍ Kindermann, Markus Karl ;Kowski, Klaus ;Muchall, Heidi M. ;Rademacher, Paul 📂 Article 📅 1993 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 613 KB

## 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