Conformational properties and gas-phase structure of (fluorocarbonyl)sulfenyl chloride, FC(O)SCl; electron diffraction, vibrational analysis, and ab initio calculations

1991 ◽  
Vol 95 (11) ◽  
pp. 4238-4241 ◽  
Author(s):  
Hans Georg Mack ◽  
Heinz Oberhammer ◽  
C. O. Della Vedova
Keyword(s):  
Electron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Vibrational Analysis ◽  
Sulfenyl Chloride ◽  
Conformational Properties ◽  
Gas Phase Structure

Gas-phase structure of sulfur cyanate pentafluoride, SF5OCN. Electron diffraction and ab initio study

1991 ◽  
Vol 30 (1) ◽  
pp. 59-62 ◽  
Author(s):  
Petra. Zylka ◽  
Hans Georg. Mack ◽  
Arno. Schmuck ◽  
Konrad. Seppelt ◽  
Heinz. Oberhammer
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Ab Initio Study ◽  
Gas Phase Structure

Gas-phase structure of 2,2,2-trichloroethyl chloroformate studied by electron diffraction and quantum-chemical calculations

2016 ◽  
Vol 18 (1) ◽  
pp. 393-402 ◽  
Author(s):  
Diego M. Gil ◽  
María E. Tuttolomondo ◽  
Sebastian Blomeyer ◽  
Christian G. Reuter ◽  
Norbert W. Mitzel ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Phase Structure ◽  
Quantum Chemical ◽  
Conformational Properties ◽  
Gas Phase Structure ◽  
Gas Phase Electron Diffraction

The molecular structure and conformational properties of 2,2,2-trichloroethyl chloroformate, ClC(O)OCH2CCl3 were determined experimentally using gas-phase electron diffraction (GED) and theoretically based on quantum-chemical calculations at the MP2 and DFT levels of theory.

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