ChemInform Abstract: PHOTOELECTRON SPECTRA AND MOLECULAR PROPERTIES. 75. RADICAL IONS, XIX. ONE-ELECTRON OXIDATIONS OF (TRIMETHYLSILYLMETHYL-SUBSTITUTED BENZENES IN THE GASEOUS PHASE AND IN SOLUTION

1979 ◽  
Vol 10 (1) ◽  
Author(s):  
H. BOCK ◽  
W. KAIM
Keyword(s):  
Gaseous Phase ◽  
Molecular Properties ◽  
Photoelectron Spectra ◽  
Radical Ions ◽  
Substituted Benzenes

Tautomerism of pyrazoline-5-thione and triazoline-5-thione studied by variable temperature photoelectron spectroscopy

1983 ◽  
Vol 61 (6) ◽  
pp. 1197-1203 ◽  
Author(s):  
Claude Guimon ◽  
Geneviève Pfister-Guillouzo ◽  
Mlkael Begtrup
Keyword(s):  
Gaseous Phase ◽  
Photoelectron Spectroscopy ◽  
Variable Temperature ◽  
Thermal Isomerization ◽  
Photoelectron Spectra ◽  
Planar Form ◽  
Mndo Calculations

Photoelectron spectra at variable temperatures demonstrate that the rate of thermal isomerization of pyrazoline-5-thione (1a) into methylthiopyrazole(s) in the gaseous phase is metal catalysed. Similar isomerizations of triazolethione (2a and 3a) are at best only slightly so.Furthermore, photoelectron spectra and MNDO calculations show that gaseous methylthiopyrazoles (1b and 1c) and methylthiotriazoles (2b and 2c) exist predominantly in planar form for the b isomer and in nonplanar form for the c isomer. The ΔH0 for the rotameric equilibria is 2.7–4.2 kJ•mol−1.

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